2WXU
Clostridium perfringens alpha-toxin strain NCTC8237 mutant T74I
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 | 2004-02-13 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 59.861, 173.643, 78.564 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.641 - 1.800 |
R-factor | 0.1773 |
Rwork | 0.175 |
R-free | 0.21630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1CA1 WITHOUT RESIDUES 75-84 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.983 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.640 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.070 | 0.320 |
Number of reflections | 38029 | |
<I/σ(I)> | 13.8 | 3.9 |
Completeness [%] | 99.2 | 99.9 |
Redundancy | 5.2 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.6 | 1 M NA ACETATE, 0.1 M NA-HEPES, PH7.6, 0.05 M CDSO4 |