2CJF
TYPE II DEHYDROQUINASE INHIBITOR COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-20 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 195.755, 195.730, 239.680 |
| Unit cell angles | 65.84, 65.89, 89.97 |
Refinement procedure
| Resolution | 25.000 - 1.950 |
| R-factor | 0.277 |
| Rwork | 0.274 |
| R-free | 0.33400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bt4 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.967 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.110 | 0.690 |
| Number of reflections | 1334888 | |
| <I/σ(I)> | 7.1 | 1.3 |
| Completeness [%] | 90.6 | 78.2 |
| Redundancy | 1.88 | 1.82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | PROTEIN AT 6MG/ML WAS EQUILIBRATED AGAINST A SOLUTION 15% PEG 8K, 0.1M HEPES BUFFER PH 7.5 USING THE SITING DROP METHOD. |
