4XTJ
N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM KCl plus 100 mM NaCl condition
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 87.520, 140.910, 79.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.230 - 1.920 |
R-factor | 0.1854 |
Rwork | 0.184 |
R-free | 0.21810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ei1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.271 |
Data scaling software | Aimless (0.1.29) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.230 | 35.230 | 1.970 |
High resolution limit [Å] | 1.920 | 8.590 | 1.920 |
Rmerge | 0.061 | 0.020 | 0.915 |
Rpim | 0.029 | 0.010 | 0.434 |
Total number of observations | 199461 | 2072 | 14033 |
Number of reflections | 37803 | ||
<I/σ(I)> | 18.5 | 58.9 | 1.9 |
Completeness [%] | 99.6 | 93.8 | 96.2 |
Redundancy | 5.3 | 4.6 | 5.3 |
CC(1/2) | 0.999 | 0.999 | 0.699 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 15-25% (v/v) PEG 3350, 2 mM MgCl2, 100 mM KCl, 100 mM NaCl, 100 mM Tris-HCl pH 8.0 |