3QTD
Crystal structure of putative modulator of gyrase (PmbA) from Pseudomonas aeruginosa PAO1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.385, 116.201, 253.968 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.22742 |
| Rwork | 0.225 |
| R-free | 0.27863 |
| Structure solution method | SAD |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.738 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 (SHELXD) |
| Refinement software | REFMAC (5.6.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.171 | 0.731 |
| Number of reflections | 56209 | |
| <I/σ(I)> | 10 | 2.1 |
| Completeness [%] | 98.1 | 97.6 |
| Redundancy | 5.3 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2M Mg Formate, 20% P3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
