1TWJ
Crystal Structure of B. subtilis PurS P21 Crystal Form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 170 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-10-23 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.905, 87.955, 52.679 |
| Unit cell angles | 90.00, 94.97, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.500 |
| R-factor | 0.249 |
| Rwork | 0.248 |
| R-free | 0.32100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gtd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.097 | 0.318 |
| Number of reflections | 13053 | |
| <I/σ(I)> | 10 | 5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 2.0M ammonium sulfate, 6% Peg 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
