4MMJ
crystal structure of YafQ from E.coli strain BL21(DE3)
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 | 2012-07-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 41.515, 92.396, 66.825 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.001 - 1.800 |
| R-factor | 0.2028 |
| Rwork | 0.203 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mmg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.093 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.079 | 0.242 |
| Number of reflections | 12280 | |
| <I/σ(I)> | 49.1 | 10.2 |
| Completeness [%] | 97.3 | 99.8 |
| Redundancy | 6.4 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.2M (NH4)2SO4, 30%PEG8000, 10mM Pr(Ac)3, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
