2Y3P
Crystal structure of N-terminal domain of GyrA with the antibiotic simocyclinone D8
Replaces: 2WL2Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-11-12 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 143.910, 153.090, 177.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.470 - 2.620 |
| R-factor | 0.20399 |
| Rwork | 0.202 |
| R-free | 0.24118 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ab4 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.837 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.470 | 2.760 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Rmerge | 0.090 | 0.510 |
| Number of reflections | 58959 | |
| <I/σ(I)> | 14 | 3.3 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 5.1 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 6% (W/V) PEG 8000, 30% (V/V) GLYCEROL IN 100 MM TRIS-HCL PH 8.5. |
