CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB

entry_id	1d6e
deposition_date	1999-10-13
title	CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB
keywords	MHC CLASS II-SUPERANTIGEN COMPLEX, IMMUNE SYSTEM-PEPTIDE INHIBITOR COMPLEX, PEPTIDOMIMETIC INHIBITOR; IMMUNE SYSTEM/PEPTIDE INHIBITOR
method	X-RAY DIFFRACTION

rg_guinier	30.03 Å
rg_electron	29.41 Å
i0	74812200.00
molecular_weight	68947.0 kDa
excluded_volume	86450 ų
envelope_volume	109200 ų
shell_volume	31832 ų
envelope_diameter	112.1 Å
shell_rg	35.58 Å
envelope_rg	29.48 Å
shape_rg	29.37 Å
total_rg	30.12 Å
total_atoms	4873
n_residues	585
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	104.4 Å
rg_real	30.08 Å
rg_real_error	0.84 Å
i0_real	7.4810e+07
i0_real_error	1.1690e+06
rg_reciprocal	30.06 Å
i0_reciprocal	74810000.0000
total_estimate	0.8741
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.5 Å
skewness	0.379
kurtosis	-0.257
angular_range	— – 0.2650 Å−1
current_alpha	0.0000
highest_alpha	11750000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.825; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.931; Smooth: 0.953

Unit Cell

length_a	80.827 Å
length_b	102.335 Å
length_c	102.638 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	2.450 Å
resolution_low	19.950 Å
r_factor	0.1980
r_work	0.1980
r_free	0.2260

Diffraction

temperature

294.0 K

Files (7)

• pr_distribution /app/data/pr_computation/d6/1d6e/pr_distribution.json
• pr_output /app/data/pr_computation/d6/1d6e/1d6e.pr.out
• pr_plot /app/data/visualization/pr_computation/d6/1d6e/1d6e_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/d6/1d6e/1d6e.dat
• saxs_fit /app/data/saxs_computation/d6/1d6e/1d6e.fit
• saxs_log /app/data/saxs_computation/d6/1d6e/1d6e.log
• saxs_plot /app/data/visualization/saxs_computation/d6/1d6e/1d6e_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/d6/1d6e/1d6e.fit
pddf	/app/data/pr_computation/d6/1d6e/1d6e.pr.out
profile	/app/data/saxs_computation/d6/1d6e/1d6e.dat