4WUC
N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM NaCl condition
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-03-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 87.910, 140.880, 79.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.490 - 1.900 |
R-factor | 0.1854 |
Rwork | 0.183 |
R-free | 0.21980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ei1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.256 |
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] | 27.490 | 27.490 | 1.950 |
High resolution limit [Å] | 1.900 | 8.510 | 1.900 |
Rmerge | 0.062 | 0.024 | 1.114 |
Rpim | 0.026 | 0.011 | 0.484 |
Total number of observations | 253416 | 2747 | 17831 |
Number of reflections | 39031 | ||
<I/σ(I)> | 22.4 | 75.2 | 2.5 |
Completeness [%] | 99.9 | 96.9 | 99.8 |
Redundancy | 6.5 | 5.7 | 6.2 |
CC(1/2) | 0.999 | 0.999 | 0.643 |
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 |