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 |