3S40
The crystal structure of a diacylglycerol kinases from Bacillus anthracis str. Sterne
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97924 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.608, 130.758, 72.794 |
| Unit cell angles | 90.00, 115.04, 90.00 |
Refinement procedure
| Resolution | 43.231 - 2.100 |
| R-factor | 0.1778 |
| Rwork | 0.175 |
| R-free | 0.23780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qvl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.077 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.656 |
| Number of reflections | 62575 | |
| <I/σ(I)> | 16.7 | 1.4 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 4.9 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 289 | 0.1M Bis-Tris, 0.4M NH4Cl, 16% PEG 3350, 4% Jeffamine M-600, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
