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 |
