5NPK
1.98A STRUCTURE OF THIOPHENE1 WITH S.AUREUS DNA GYRASE AND DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.442, 120.680, 168.899 |
Unit cell angles | 90.00, 90.05, 90.00 |
Refinement procedure
Resolution | 19.970 - 1.980 |
R-factor | 0.1552 |
Rwork | 0.154 |
R-free | 0.18320 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.894 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.970 | 2.010 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.069 | 0.673 |
Rmeas | 0.082 | 0.866 |
Rpim | 0.043 | 0.533 |
Total number of observations | 891144 | |
Number of reflections | 245600 | |
<I/σ(I)> | 11.8 | |
Completeness [%] | 98.7 | 89.9 |
Redundancy | 3.6 | 2.5 |
CC(1/2) | 0.998 | 0.542 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.2 | 293 | 11 % PEG 5000 MME, 150 mM Bis-Tris pH 6.2 |