4UX7
Structure of a Clostridium difficile sortase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-04 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.247, 90.273, 134.738 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.000 - 2.550 |
R-factor | 0.19948 |
Rwork | 0.196 |
R-free | 0.26221 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SWISS-MODELLER MODEL BASED ON PDB ENTRY 1RZ2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.240 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.370 | 2.690 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.150 | 0.520 |
Number of reflections | 15902 | |
<I/σ(I)> | 11.8 | 4.2 |
Completeness [%] | 98.8 | 100 |
Redundancy | 7.7 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.2 | 0.1M PHOSPHATE-CITRATE PH 4.2, 40% PEG 300 |