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 |