4CL3
1.70 A resolution structure of the malate dehydrogenase from Chloroflexus aurantiacus
Replaces: 4BGTExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-06 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 106.226, 106.226, 102.566 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.701 - 1.699 |
| R-factor | 0.1685 |
| Rwork | 0.166 |
| R-free | 0.20860 |
| Structure solution method | SIRAS |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.290 |
| Data reduction software | XDS (10-05-2010) |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | SHARP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.700 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.360 |
| Number of reflections | 68673 | |
| <I/σ(I)> | 6.3 | 2.2 |
| Completeness [%] | 93.7 | 95.8 |
| Redundancy | 4.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 293 | 4-14% PEG 400, 0.1 M SODIUM ACETATE PH 4.6, 0.04 M CADMIUM ACETATE, 293 K, 1-3 DAYS |
