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 |
