HLA-DR1 (DRA, DRB1 0101) HUMAN CLASS II HISTOCOMPATIBILITY PROTEIN (EXTRACELLULAR DOMAIN) COMPLEXED WITH ENDOGENOUS PEPTIDE

entry_id	1aqd
deposition_date	1997-07-28
title	HLA-DR1 (DRA, DRB1 0101) HUMAN CLASS II HISTOCOMPATIBILITY PROTEIN (EXTRACELLULAR DOMAIN) COMPLEXED WITH ENDOGENOUS PEPTIDE
keywords	COMPLEX (MHC PROTEIN-ANTIGEN), HISTOCOMPATIBILITY ANTIGEN, COMPLEX (MHC PROTEIN-ANTIGEN) complex; COMPLEX (MHC PROTEIN/ANTIGEN)
method	X-RAY DIFFRACTION

rg_guinier	43.07 Å
rg_electron	42.77 Å
i0	460165000.00
molecular_weight	176410.0 kDa
excluded_volume	220320 ų
envelope_volume	301960 ų
shell_volume	58960 ų
envelope_diameter	145.2 Å
shell_rg	48.02 Å
envelope_rg	41.72 Å
shape_rg	42.76 Å
total_rg	43.06 Å
total_atoms	12486
n_residues	1514
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	140.0 Å
rg_real	43.13 Å
rg_real_error	1.66 Å
i0_real	4.6020e+08
i0_real_error	9.0410e+06
rg_reciprocal	43.07 Å
i0_reciprocal	460100000.0000
total_estimate	0.8828
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	45.4 Å
skewness	0.327
kurtosis	-0.562
angular_range	— – 0.1850 Å−1
current_alpha	0.0000
highest_alpha	44300000.0000
n_real_points	38
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.910; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.760

Unit Cell

length_a	134.514 Å
length_b	134.320 Å
length_c	131.232 Å
angle_alpha	90.00 °
angle_beta	104.82 °
angle_gamma	90.00 °
z_pdb	16

Symmetry

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

Refinement

resolution	2.450 Å
resolution_low	6.000 Å
r_factor	0.2160
r_work	0.2160
r_free	0.2790

Diffraction

temperature

98.0 K

Files (7)

• pr_distribution /app/data/pr_computation/aq/1aqd/pr_distribution.json
• pr_output /app/data/pr_computation/aq/1aqd/1aqd.pr.out
• pr_plot /app/data/visualization/pr_computation/aq/1aqd/1aqd_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/aq/1aqd/1aqd.dat
• saxs_fit /app/data/saxs_computation/aq/1aqd/1aqd.fit
• saxs_log /app/data/saxs_computation/aq/1aqd/1aqd.log
• saxs_plot /app/data/visualization/saxs_computation/aq/1aqd/1aqd_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/aq/1aqd/1aqd.fit
pddf	/app/data/pr_computation/aq/1aqd/1aqd.pr.out
profile	/app/data/saxs_computation/aq/1aqd/1aqd.dat