4QDZ
Crystal structure of Antigen 85C-E228Q mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 68.161, 74.914, 136.086 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.803 - 1.885 |
R-factor | 0.165 |
Rwork | 0.163 |
R-free | 0.18720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.126 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | EPMR |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.093 | 0.561 |
<I/σ(I)> | 31.538 | 5.75 |
Completeness [%] | 99.5 | 98.8 |
Redundancy | 13.1 | 12.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 25% PEG 3350, 0.1M sodium acetate, 13mM hexaethylene glycol monooctyl ether, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |