4ML2
Crystal structure of wild-type YafQ
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BSRF BEAMLINE 1W2B |
Synchrotron site | BSRF |
Beamline | 1W2B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-19 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9792 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 41.299, 89.832, 75.015 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.790 - 1.500 |
R-factor | 0.1757 |
Rwork | 0.176 |
R-free | 0.18920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mmg |
RMSD bond length | 0.006 |
RMSD bond angle | 1.084 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.062 | 0.167 |
Number of reflections | 22754 | |
<I/σ(I)> | 72.5 | 16.3 |
Completeness [%] | 99.7 | 100 |
Redundancy | 10 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.2M (NH4)2SO4, 30% PEG8000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |