2W0V
Crystal structure of Glmu from Haemophilus influenzae in complex with quinazoline inhibitor 1
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 | 2004-03-01 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | H 3 2 |
Unit cell lengths | 108.821, 108.821, 326.850 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 111.800 - 1.990 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v0h |
RMSD bond length | 0.007 |
RMSD bond angle | 1.111 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.400 |
Number of reflections | 46320 | |
<I/σ(I)> | 22.36 | 2.47 |
Completeness [%] | 90.5 | 87.3 |
Redundancy | 5.52 | 5 |
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. |