2BT4
Type II Dehydroquinase inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-03-25 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 196.616, 196.487, 240.626 |
| Unit cell angles | 65.91, 65.91, 90.01 |
Refinement procedure
| Resolution | 27.000 - 1.700 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gu1 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.865 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.170 | 0.900 |
| Number of reflections | 3557702 | |
| <I/σ(I)> | 2.8 | 1 |
| Completeness [%] | 93.7 | 89.6 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 15% PEG8K, 0.2M NAKPHOSPHATE, 0.1M MOPS/HCL PH6.5, pH 6.50 |
