2W0W
Crystal structure of Glmu from Haemophilus influenzae in complex with quinazoline inhibitor 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-01 |
| Detector | ADSC CCD |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 107.812, 107.812, 234.441 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 117.040 - 2.590 |
| R-factor | 0.25 |
| Rwork | 0.248 |
| R-free | 0.29400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v0h |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.084 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.130 | 0.710 |
| Number of reflections | 24797 | |
| <I/σ(I)> | 27.41 | 2.95 |
| Completeness [%] | 96.2 | 97.6 |
| Redundancy | 10.63 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 1.7 M AMMONIUM SULFATE, 2% PEG 400, 0.1M MES PH 5.4-6.1 |
