9BLO
T450C mutant of repeat domain 2 from Clostridium perfringens adhesin CPE0147 without 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 EIGER X 9M |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.983, 44.405, 50.102 |
| Unit cell angles | 95.14, 109.36, 110.12 |
Refinement procedure
| Resolution | 18.850 - 1.350 |
| Rwork | 0.193 |
| R-free | 0.22860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.192 |
| 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] | 18.850 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rpim | 0.023 | 0.352 |
| Number of reflections | 61888 | 2494 |
| <I/σ(I)> | 27.8 | 2.4 |
| Completeness [%] | 94.8 | 77.4 |
| Redundancy | 6.7 | 6.6 |
| CC(1/2) | 1.000 | 0.787 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.2 M MgCl2, 0.1 M Tris.HCl pH 8.5, and 30% (w/v) PEG 4000 |
