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 |