3E4P
Crystal structure of malonate occupied 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 | 2007-01-11 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.980, 39.100, 111.540 |
| Unit cell angles | 90.00, 94.78, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.199 |
| Rwork | 0.196 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3E4P |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.664 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.500 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.069 | 0.389 |
| Number of reflections | 22061 | |
| <I/σ(I)> | 12.12 | 2.7 |
| Completeness [%] | 97.5 | 94.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 289 | 0.2 M SODIUM MALONATE PH 6.0, 13-15% PEG 3350, 5-10 mM STRONTIUM CHLORIDE, VAPOR DIFFUSION, temperature 289K |
