3VFU
crystal structure of HLA B*3508 LPEP-P7Ala, peptide mutant P7-ala
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9536 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.316, 80.580, 109.545 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.884 - 1.650 |
R-factor | 0.1915 |
Rwork | 0.190 |
R-free | 0.22550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zhk |
RMSD bond length | 0.007 |
RMSD bond angle | 1.133 |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.910 | 19.884 | 1.740 |
High resolution limit [Å] | 1.650 | 5.220 | 1.650 |
Rmerge | 0.029 | 0.478 | |
Number of reflections | 54048 | ||
<I/σ(I)> | 19.1 | 20.2 | 1.6 |
Completeness [%] | 99.4 | 98.1 | 98.6 |
Redundancy | 7.2 | 6.6 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.2M ammonium acetate, 16% PEG 4K, 0.1M sodium citrate pH5.6, vapor diffusion, hanging drop, temperature 293K |