2VD4
Structure of small-molecule inhibitor of Glmu from Haemophilus influenzae reveals an allosteric binding site
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 | 2004-11-01 |
| Detector | ADSC CCD |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 108.186, 108.186, 327.430 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 111.800 - 1.900 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v0h |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.270 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNX |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.250 |
| Number of reflections | 55305 | |
| <I/σ(I)> | 22 | 4.8 |
| Completeness [%] | 94.4 | 84.5 |
| Redundancy | 5.3 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.9 | 1.7-1.8 M AMMONIUM SULFATE, 2% PEG-400, AND 0.1M MES PH 5.4-6.1 |
