3S4S
Crystal structure of CD4 mutant bound to HLA-DR1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.502 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.260, 137.290, 88.290 |
Unit cell angles | 90.00, 106.64, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
Rwork | 0.251 |
R-free | 0.28560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.381 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.110 | 0.063 | 0.599 |
Number of reflections | 60345 | ||
<I/σ(I)> | 7.3 | ||
Completeness [%] | 99.8 | 100 | 99.6 |
Redundancy | 5.8 | 6.3 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG 8000, (NH4)SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |