1AJ6
NOVOBIOCIN-RESISTANT MUTANT (R136H) OF THE N-TERMINAL 24 KDA FRAGMENT OF DNA GYRASE B COMPLEXED WITH NOVOBIOCIN AT 2.3 ANGSTROMS RESOLUTION
Experimental procedure
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-06 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.500, 47.720, 114.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.800 - 2.300 |
R-factor | 0.195 * |
Rwork | 0.195 |
R-free | 0.29000 |
Structure solution method | DIFFERENCE FOURIER |
Starting model (for MR) | WILD-TYPE 24KDA FRAGMENT/NOVOBIOCIN COMPLEX |
RMSD bond length | 0.012 |
RMSD bond angle | 1.366 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 |
Phasing software | CCP4 |
Refinement software | TNT (5D) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.800 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.065 | 0.131 |
Total number of observations | 48291 * | |
Number of reflections | 9455 | |
<I/σ(I)> | 8.5 | 5.6 |
Completeness [%] | 94.8 | 97 |
Redundancy | 5.1 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 20 * | HANGING DROP VAPOR DIFFUSION; 12MGS/ML PROTEIN/NOVOBIOCIN MIXED WITH EQUAL VOLUME OF RESERVOIR SOLUTION (12% V/V PEG200, 100MM MES PH6.2), vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein/novobiocin | 12 (mg/ml) | |
2 | 1 | drop | PEG200 | 6 (%(v/v)) | |
3 | 1 | drop | MES | 50 (mM) | |
4 | 1 | reservoir | PEG200 | 12 (%(v/v)) | |
5 | 1 | reservoir | MES | 100 (mM) |