3E4Q
Crystal structure of apo DctB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-15 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.988, 38.735, 111.172 |
| Unit cell angles | 90.00, 94.47, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.750 |
| R-factor | 0.199 |
| Rwork | 0.195 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3E4O |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.290 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.068 | 0.369 |
| Number of reflections | 12743 | |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 95.9 | 97.7 |
| Redundancy | 2.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 289 | 0.1M HEPES PH 7.5, 15-20% PEG 3350, 0.04M CALCIUM CHLORIDE, VAPOR DIFFUSION, temperature 289K |
