4K1P
Structure of the NheA component of the Nhe toxin from Bacillus cereus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-26 |
Detector | ADSC |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 309.008, 58.242, 172.999 |
Unit cell angles | 90.00, 110.61, 90.00 |
Refinement procedure
Resolution | 49.900 - 2.050 |
R-factor | 0.21428 |
Rwork | 0.212 |
R-free | 0.26164 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.876 |
Data reduction software | xia2 |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 161.920 | 2.160 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 179016 | |
Completeness [%] | 98.9 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | PEG 3350 (22% w/v), 0.2 M ammonium sulphate, 0.1 M bis-Tris, pH 7.0, vapor diffusion, sitting drop, temperature 290K |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | PEG 3350 (22% w/v), 0.2 M ammonium sulphate, 0.1 M bis-Tris, pH 7.0, vapor diffusion, sitting drop, temperature 290K |