3W39
Crystal structure of HLA-B*5201 in complexed with HIV immunodominant epitope (TAFTIPSI)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-31 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.045, 83.255, 170.347 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.802 - 3.100 |
R-factor | 0.2979 |
Rwork | 0.295 |
R-free | 0.34690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e28 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.484 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.900 | 3.270 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.241 | 0.596 |
Number of reflections | 18422 | |
<I/σ(I)> | 2.8 | 1.2 |
Completeness [%] | 99.6 | 98.2 |
Redundancy | 9 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG 3350, 0.2M sodium acetate, 0.1M Bis Tris propane, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |