3BO8
The High Resolution Crystal Structure of HLA-A1 Complexed with the MAGE-A1 Peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-05-20 |
Detector | MARRESEARCH |
Wavelength(s) | 0.954 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.176, 74.060, 125.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.650 - 1.800 |
R-factor | 0.196 |
Rwork | 0.195 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w72 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.451 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.888 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.109 | 0.351 |
Total number of observations | 24361 | |
Number of reflections | 43828 | |
<I/σ(I)> | 17.3 | 3.82 |
Completeness [%] | 97.0 | 95 |
Redundancy | 4.1 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 20% PEG 3350, 0.2M Sodium Fluoride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |