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) |
