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 |
