4L6Q
ROCK2 in complex with benzoxaborole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2009-07-24 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 136.465, 147.518, 91.214 |
| Unit cell angles | 90.00, 125.17, 90.00 |
Refinement procedure
| Resolution | 49.500 - 2.790 |
| R-factor | 0.22356 |
| Rwork | 0.222 |
| R-free | 0.28142 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.141 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.090 | 2.980 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Rmerge | 0.065 | 1.134 |
| Number of reflections | 36050 | |
| <I/σ(I)> | 6.5 | 0.7 |
| Completeness [%] | 95.7 | 96.2 |
| Redundancy | 2.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 1.2 M sodium citrate and 2 mM DTT, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
