5A0D
N-terminal thioester domain of surface protein from Clostridium perfringens, Cys138Ala mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-22 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 98.420, 110.720, 68.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.970 - 1.600 |
| R-factor | 0.17906 |
| Rwork | 0.177 |
| R-free | 0.21015 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.567 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.970 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.050 | 0.740 |
| Number of reflections | 99659 | |
| <I/σ(I)> | 31.6 | 4.3 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 18.1 | 18.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2 M POTASSIUM THIOCYANATE, 0.1 M BIS -TRIS PROPANE PH 6.5, 20% PEG 3350 |
