4YAQ
Crystal structure of a computationally optimized PG9 mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2014-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.740, 122.980, 69.920 |
| Unit cell angles | 90.00, 96.27, 90.00 |
Refinement procedure
| Resolution | 37.260 - 2.300 |
| R-factor | 0.206 |
| Rwork | 0.204 |
| R-free | 0.23840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Fab portion of 3U4E |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.697 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.060 | 0.500 |
| Number of reflections | 42379 | |
| <I/σ(I)> | 13.3 | 1.9 |
| Completeness [%] | 98.3 | 98.9 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 5% PEG 3000, 40% PEG 400 and 0.1M MES |
