SAXSdb — 1de6

▼

1. Structure Basics

entry_id	1de6
deposition_date	1999-11-13
title	L-RHAMNOSE ISOMERASE
keywords	(BETA8/ALPHA8) BARREL, TIM BARREL, HYDRIDE SHIFT, ISOMERASE; ISOMERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	33.90 Å
rg_electron	32.91 Å
i0	556688000.00
molecular_weight	188750.0 kDa
excluded_volume	234820 Å³
envelope_volume	268570 Å³
shell_volume	63407 Å³
envelope_diameter	102.6 Å
shell_rg	43.02 Å
envelope_rg	32.77 Å
shape_rg	32.92 Å
total_rg	33.51 Å
total_atoms	13288
n_residues	1664
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

▼

3. P(r) Analysis (GNOM)

dmax	99.3 Å
rg_real	33.66 Å
rg_real_error	0.50 Å
i0_real	5.5670e+08
i0_real_error	7.5230e+06
rg_reciprocal	33.81 Å
i0_reciprocal	556800000.0000
total_estimate	0.9051
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	46.5 Å
skewness	0.026
kurtosis	-0.580
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	307800000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.964; Smooth: 0.948

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	L-RHAMNOSE ISOMERASE
formula_weight	48170.3 kDa
ec_number	5.3.1.14
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	14331

GHHHHHHMTTQLEQAWELAKQRFAAVGIDVEEALRQLDRLPVSMHCWQGDDVSGFENPEGSLTGGIQATGNYPGKARNASELRADLEQAMRLIPGPKRLNLHAIYLESDTPVSRDQIKPEHFKNWVEWAKANQLGLDFNPSCFSHPLSADGFTLSHADDSIRQFWIDHCKASRRVSAYFGEQLGTPSVMNIWIPDGMKDITVDRLAPRQRLLAALDEVISEKLNPAHHIDAVESKLFGIGAESYTVGSNEFYMGYATSRQTALCLDAGHFHPTEVISDKISAAMLYVPQLLLHVSRPVRWDSDHVVLLDDETQAIASEIVRHDLFDRVHIGLDFFDASINRIAAWVIGTRNMKKALLRALLEPTAELRKLEAPGDYTARLALLEEQKSLPWQAVWEMYCQRHDTPAGSEWLESVRAYEKEILSRRG

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	L-RHAMNOSE
formula_weight	164.2 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1043

▶

6. Citations (1)

▶

length_a	169.179 Å
length_b	162.439 Å
length_c	77.726 Å
angle_alpha	90.00 °
angle_beta	109.89 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.100 Å
resolution_low	30.000 Å
r_factor	0.1730
r_work	0.2440
r_free	0.2440

fit	/app/data/saxs_computation/de/1de6/1de6.fit
pddf	/app/data/pr_computation/de/1de6/1de6.pr.out
profile	/app/data/saxs_computation/de/1de6/1de6.dat

L-RHAMNOSE ISOMERASE

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