5WKG
Crystal Structure of Human CD1b in Complex with PA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-09 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95370 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.190, 78.530, 84.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.580 - 2.060 |
R-factor | 0.174 |
Rwork | 0.171 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.190 | 2.150 |
High resolution limit [Å] | 2.060 | 2.060 |
Rpim | 0.056 | |
Number of reflections | 24235 | |
<I/σ(I)> | 7.6 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.1 | 7.2 |
CC(1/2) | 0.638 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 27% PET 3350, 0.2M Sodium malonate |