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9vlk

Crystal structure of QatC

Method: X-RAY DIFFRACTION D_max: 100.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9vlk
deposition_date	2025-06-25
last_revision	2026-06-03
title	Crystal structure of QatC
keywords	QatC, QatABCD, UNKNOWN FUNCTION; UNKNOWN FUNCTION
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	31.41 Å
rg_electron	30.58 Å
i0	166783000.00
molecular_weight	99297.0 kDa
excluded_volume	122820 Å³
envelope_volume	152140 Å³
shell_volume	41141 Å³
envelope_diameter	105.8 Å
shell_rg	38.03 Å
envelope_rg	30.66 Å
shape_rg	30.58 Å
total_rg	31.17 Å
total_atoms	6969
n_residues	887
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	100.9 Å
rg_real	31.37 Å
rg_real_error	0.74 Å
i0_real	1.6680e+08
i0_real_error	2.7460e+06
rg_reciprocal	31.39 Å
i0_reciprocal	166800000.0000
total_estimate	0.8980
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.3 Å
skewness	0.305
kurtosis	-0.467
angular_range	— – 0.2500 Å⁻¹
current_alpha	0.0000
highest_alpha	36320000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.913; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.929

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	QatC
formula_weight	51692.3 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6990

MSHHTLVARLGTDDNSDLQLSRQSTHLTEINFLKENGKLDFGLGQALNGLSDLGLTPMDVSVDLALLAATVTAADTRISRGHNAQDLWTREIALYIPVASPTLWNSQTGLLSRMLNFLTGDRWTIHFRSRPVIEHGLIQRSSKERSVNPTSVCLFSGGLDSFIGAIDLLSNGGTPLLISHYWDTTTSVYQQKCAQLLSERYGQSFSHVRARVGFEKTTIEGEDGENTLRGRSFMFFSLATMAADALGGPVTINVPENGLISLNVPLDPLRVGALSTRTTHPFYMARFNELLGNLGISAHLENPYAYKTKGEMAIHCHDHAFLRQHAADTMSCSSPQSTRWNPALNEQQSTHCGRCVPCLIRRASLFTAFGTDDTIYRIPDLRSRVLDSSKPEGEHVRAFQFALARLARSPSRAKFDIHKPGPLSDYPDCLAEYEGVYLRGMKEVERLLSGVITRPLTLEHHHHHH

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
formula_weight	506.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	21

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6. Citations (1)

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length_a	85.285 Å
length_b	85.285 Å
length_c	120.553 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31
int_tables_number	144
crystal_system	—

resolution	3.100 Å
resolution_low	36.929 Å
r_factor	0.1729
r_work	0.1688
r_free	0.2511

fit	/app/data/saxs_computation/vl/9vlk/9vlk.fit
pddf	/app/data/pr_computation/vl/9vlk/9vlk.pr.out
profile	/app/data/saxs_computation/vl/9vlk/9vlk.dat

Crystal structure of QatC

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction