5V8E
Structure of Bacillus cereus PatB1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-03 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 63 |
| Unit cell lengths | 133.760, 133.760, 87.311 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.783 - 2.200 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.24150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.129 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.128 | 0.717 |
| Number of reflections | 45198 | |
| <I/σ(I)> | 10 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.5 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M Sodium Citrate:Citric Acid pH 5.5, 40% (v/v) PEG 600 |
