;INSIGHT IN ODORANT PERCEPTION: THE CRYSTAL STRUCTURE AND BINDING CHARACTERISTICS OF ANTIBODY FRAGMENTS DIRECTED AGAINST THE MUSK ODORANT TRASEOLIDE ;

entry_id	1c12
deposition_date	1999-07-20
title	;INSIGHT IN ODORANT PERCEPTION: THE CRYSTAL STRUCTURE AND BINDING CHARACTERISTICS OF ANTIBODY FRAGMENTS DIRECTED AGAINST THE MUSK ODORANT TRASEOLIDE ;
keywords	ANTIBODY-ANTIGEN COMPLEX, SCFV FRAGMENT, CDRH3, MUSK ODORANT, ODORANT SPECIFICITY, IMMUNE SYSTEM; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	25.76 Å
rg_electron	24.71 Å
i0	38328100.00
molecular_weight	47492.0 kDa
excluded_volume	59214 ų
envelope_volume	73760 ų
shell_volume	25003 ų
envelope_diameter	81.4 Å
shell_rg	31.94 Å
envelope_rg	24.33 Å
shape_rg	24.70 Å
total_rg	25.58 Å
total_atoms	3345
n_residues	434
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	79.9 Å
rg_real	25.73 Å
rg_real_error	0.44 Å
i0_real	3.8330e+07
i0_real_error	5.0640e+05
rg_reciprocal	25.74 Å
i0_reciprocal	38330000.0000
total_estimate	0.9119
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	28.4 Å
skewness	0.243
kurtosis	-0.579
angular_range	— – 0.3100 Å−1
current_alpha	0.0001
highest_alpha	6146000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.969; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.947

Unit Cell

length_a	40.400 Å
length_b	84.100 Å
length_c	134.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 2 21 21
int_tables_number	18
crystal_system	—

Refinement

resolution	2.600 Å
resolution_low	12.000 Å
r_factor	0.2050
r_work	0.2050
r_free	0.2700

Diffraction

temperature

293.0 K

Files (7)

• pr_distribution /app/data/pr_computation/c1/1c12/pr_distribution.json
• pr_output /app/data/pr_computation/c1/1c12/1c12.pr.out
• pr_plot /app/data/visualization/pr_computation/c1/1c12/1c12_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/c1/1c12/1c12.dat
• saxs_fit /app/data/saxs_computation/c1/1c12/1c12.fit
• saxs_log /app/data/saxs_computation/c1/1c12/1c12.log
• saxs_plot /app/data/visualization/saxs_computation/c1/1c12/1c12_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/c1/1c12/1c12.fit
pddf	/app/data/pr_computation/c1/1c12/1c12.pr.out
profile	/app/data/saxs_computation/c1/1c12/1c12.dat