2XSJ
Structure of desulforubidin from Desulfomicrobium norvegicum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-17 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.340, 135.090, 178.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.510 - 2.500 |
| R-factor | 0.1588 |
| Rwork | 0.156 |
| R-free | 0.20848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v4j |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.560 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.100 | 2.670 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.110 | 0.290 |
| Number of reflections | 79925 | |
| <I/σ(I)> | 12.8 | 5.8 |
| Completeness [%] | 99.4 | 96.9 |
| Redundancy | 8.1 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 20% PEG 3350, 0.1 M BISTRIS PROPANE PH 7.5 AND 0.2 M K/NA TARTRATE |
