3BP4
The high resolution crystal structure of HLA-B*2705 in complex with a Cathepsin A signal sequence peptide pCatA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-01-19 |
Detector | MARRESEARCH |
Wavelength(s) | 0.95373 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.161, 82.400, 109.846 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.630 - 1.850 |
R-factor | 0.175 |
Rwork | 0.173 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bp7 |
RMSD bond length | 0.022 |
RMSD bond angle | 1.823 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.080 | 0.311 |
Number of reflections | 38830 | |
<I/σ(I)> | 12.41 | 3.08 |
Completeness [%] | 95.8 | 83.7 |
Redundancy | 3.1 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 23% PEG 8000, 0.1M Tris buffer pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |