4WRR
A putative diacylglycerol kinase 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 | 2014-03-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.099, 138.486, 78.338 |
| Unit cell angles | 90.00, 111.48, 90.00 |
Refinement procedure
| Resolution | 27.000 - 2.160 |
| R-factor | 0.2037 |
| Rwork | 0.202 |
| R-free | 0.23450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t5p |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.462 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.000 | 27.000 | 2.200 |
| High resolution limit [Å] | 2.160 | 5.840 | 2.160 |
| Rmerge | 0.088 | 0.035 | 0.564 |
| Rmeas | 0.101 | 0.040 | 0.650 |
| Rpim | 0.049 | 0.019 | 0.319 |
| Total number of observations | 272427 | ||
| Number of reflections | 67013 | ||
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 97.8 | 99.9 | 92.8 |
| Redundancy | 4.1 | 4.2 | 3.8 |
| CC(1/2) | 0.997 | 0.773 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2M sodium tartrate, 20% PEG3350 in Drop, 1.15M Sodium Chloride in Well |
