4KK3
YwlE arginine phosphatase - wildtype
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.131, 40.749, 41.056 |
| Unit cell angles | 90.00, 92.26, 90.00 |
Refinement procedure
| Resolution | 19.968 - 1.700 |
| R-factor | 0.1889 |
| Rwork | 0.186 |
| R-free | 0.21840 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.068 |
| Data reduction software | DENZO |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | SHARP |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.962 | 28.962 | 1.790 |
| High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
| Rmerge | 0.072 | 0.288 | |
| Total number of observations | 2783 | 12266 | |
| Number of reflections | 15093 | ||
| <I/σ(I)> | 11.8 | 4.9 | 2.2 |
| Completeness [%] | 96.9 | 96.3 | 95.2 |
| Redundancy | 5.8 | 5.5 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.7 | 292 | 25% PEG400, 50 mM Tris-HCl, pH 7.7, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
