4QS4
Crystal Structure of CofB from Enterotoxigenic Escherichia coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-22 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | H 3 2 |
Unit cell lengths | 104.895, 104.895, 362.288 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.510 - 2.000 |
R-factor | 0.2064 |
Rwork | 0.205 |
R-free | 0.22856 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SOLVE |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 120.700 | 120.700 | 2.080 |
High resolution limit [Å] | 2.000 | 12.600 | 2.030 |
Rmerge | 0.018 | 0.978 | |
Number of reflections | 52381 | ||
<I/σ(I)> | 24.5 | 90 | 2.5 |
Completeness [%] | 100.0 | 98.6 | 100 |
Redundancy | 11.1 | 9.9 | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 100 mM MES, 1.65 M Ammonium sulphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 100 mM MES, 1.65 M Ammonium sulphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 100 mM MES, 1.65 M Ammonium sulphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |