4JH2
Crystal Structure of FosB from Bacillus cereus with Zinc and Sulfate at 1.27 A Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-07 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.078 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.339, 68.087, 69.765 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.730 - 1.270 |
R-factor | 0.1255 |
Rwork | 0.124 |
R-free | 0.15160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 2.285 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.290 |
High resolution limit [Å] | 1.270 | 3.450 | 1.270 |
Rmerge | 0.076 | 0.057 | 0.361 |
Number of reflections | 81296 | ||
<I/σ(I)> | 13 | ||
Completeness [%] | 99.8 | 98.9 | 99.2 |
Redundancy | 7.1 | 6.5 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG 3350, Magnesium formate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |