2kvs

NMR Solution Structure of Q7A1E8 protein from Staphylococcus aureus: Northeast Structural Genomics Consortium target: ZR215

Method: SOLUTION NMR D_max: 49.5 Å Quality: GOOD

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

下载 Download SAXS (.dat) P(r) (.pr.out) CIF

▼

1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2kvs
沉积日期 deposition_date	2010-03-27
结构标题 title	NMR Solution Structure of Q7A1E8 protein from Staphylococcus aureus: Northeast Structural Genomics Consortium target: ZR215
关键词 keywords	;PSI-2, NESG, BIG target, Structural Genomics, Protein Structure Initiative, Northeast Structural Genomics Consortium, UNKNOWN FUNCTION ;; STRUCTURAL GENOMICS, UNKNOWN FUNCTION
实验方法 method	SOLUTION NMR

▼

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	14.21 Å
回转半径 Rg (电子) rg_electron	13.62 Å
零角强度 I(0) i0	551913000.00
分子量 molecular_weight	188670.0 kDa
排除体积 excluded_volume	231270 Å³
包络体积 envelope_volume	26888 Å³
水化壳体积 shell_volume	14357 Å³
包络直径 envelope_diameter	54.6 Å
壳层 Rg shell_rg	22.01 Å
包络 Rg envelope_rg	16.85 Å
形状 Rg shape_rg	13.64 Å
总 Rg total_rg	13.74 Å
总原子数 total_atoms	25780
残基数 n_residues	1600
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

▼

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	49.5 Å
Rg (实空间) rg_real	14.22 Å
Rg 误差 (实空间) rg_real_error	0.34 Å
I(0) (实空间) i0_real	5.5190e+08
I(0) 误差 (实空间) i0_real_error	5.9770e+06
Rg (倒空间) rg_reciprocal	14.22 Å
I(0) (倒空间) i0_reciprocal	551900000.0000
解质量估计 total_estimate	0.8502
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	17.6 Å
偏度 Skewness skewness	0.325
峰度 Kurtosis kurtosis	-0.170
角度范围 angular_range	— – 0.5000 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	117400.0000
实空间数据点数 n_real_points	80
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.697; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.988

▶

4. 晶体学与实验 4. Crystallography & Experiment

▶

5. 实体与聚合体信息 (1)

▼

6. 折叠分类 (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

结构域编号 domain_id	2kvsA00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	150 — DNA polymerase; domain 1
同源超家族 H-superfamily homologous superfamily	260 — YozE SAM-like

▶

7. 引用文献 (1)

▶

晶胞边长 a length_a	1.000 Å
晶胞边长 b length_b	1.000 Å
晶胞边长 c length_c	1.000 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	1

空间群 space_group	P 1
空间群编号 int_tables_number	1
晶系 crystal_system	—

描述 description	Uncharacterized protein MW0776
分子量 formula_weight	9452.6 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	25780

来源生物 organism	Staphylococcus aureus
NCBI 分类编号 ncbi_taxonomy_id	196620
宿主生物 host_organism	Escherichia coli

NMR Solution Structure of Q7A1E8 protein from Staphylococcus aureus: Northeast Structural Genomics Consortium target: ZR215

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

1. 结构基本信息 1. Structure Basics

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

4. 晶体学与实验 4. Crystallography & Experiment

晶胞参数 Unit Cell

对称性 Symmetry

5. 实体与聚合体信息 (1)

Entity 1 polymer

聚合体 Polymer

来源 Source

6. 折叠分类 (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/kv/2kvs/2kvs.fit
pddf	/app/data/pr_computation/kv/2kvs/2kvs.pr.out
profile	/app/data/saxs_computation/kv/2kvs/2kvs.dat