3WS6
Crystal Structure of H-2D in complex with a mimotopic peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-18 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.97931 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 162.723, 69.265, 73.753 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.496 - 1.980 |
R-factor | 0.172 |
Rwork | 0.169 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yn6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.111 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 1.980 | 5.430 | 2.000 |
Rmerge | 0.113 | 0.042 | |
Number of reflections | 54087 | ||
<I/σ(I)> | 6.9 | ||
Completeness [%] | 92.7 | 98.6 | 82.5 |
Redundancy | 12.2 | 13.6 | 12.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 298 | 0.2M Sodium Chloride, 10% PEG 3000, 0.1M Phosphate/Citrate buffer, 20% Glycerol, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |