9BLP
T450S mutant of repeat domain 2 from Clostridium perfringens adhesin CPE0147 with intramolecular ester bond
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-05 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.953700 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 54.907, 44.166, 64.704 |
| Unit cell angles | 90.00, 110.11, 90.00 |
Refinement procedure
| Resolution | 17.860 - 1.200 |
| Rwork | 0.142 |
| R-free | 0.15840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.336 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.860 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rpim | 0.018 | 0.186 |
| Number of reflections | 44396 | 2119 |
| <I/σ(I)> | 20.2 | 3.8 |
| Completeness [%] | 97.7 | 93.9 |
| Redundancy | 7.1 | 6.8 |
| CC(1/2) | 0.999 | 0.947 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M sodium thiocyanate and 20% PEG 3350 |
