4WUD
N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from no salt condition
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-09-21 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.917 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 87.800, 141.480, 80.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.540 - 1.950 |
R-factor | 0.1864 |
Rwork | 0.185 |
R-free | 0.21910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ei1 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.343 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.540 | 27.540 | 2.000 |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.058 | 0.028 | 0.833 |
Rpim | 0.026 | 0.013 | 0.372 |
Total number of observations | 217252 | 2532 | 15998 |
Number of reflections | 36686 | ||
<I/σ(I)> | 15.9 | 40 | 2.3 |
Completeness [%] | 99.7 | 97.3 | 99.7 |
Redundancy | 5.9 | 5.5 | 6 |
CC(1/2) | 0.999 | 0.999 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 15-25% PEG 3350, 2 mM MgCl2, 100 mM Tris-HCl pH 8.0 |