3L3D
Crystal structure of HLA-B*4402 in complex with the F3A mutant of a self-peptide derived from DPA*0201
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-01-20 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.687, 82.019, 110.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.170 - 1.800 |
R-factor | 0.18945 |
Rwork | 0.188 |
R-free | 0.23112 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m6o |
RMSD bond length | 0.013 |
RMSD bond angle | 1.385 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.900 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.076 | 0.331 |
Number of reflections | 43106 | |
<I/σ(I)> | 7 | 2 |
Completeness [%] | 99.1 | 99.1 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1M tri-sodium citrate dihydrate, 12-30% PEG 4000, 0.2M ammonium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |