30KS
Structure of the Ancestral Haloarchaeal (Anc80) Malate dehydrogenase with chloride and potassium ions.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.64 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.866, 168.287, 93.236 |
| Unit cell angles | 90.00, 95.20, 90.00 |
Refinement procedure
| Resolution | 47.910 - 1.900 |
| R-factor | 0.1709 |
| Rwork | 0.169 |
| R-free | 0.20430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.623 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.010 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.300 | |
| Rpim | 0.039 | |
| Number of reflections | 191820 | 27027 |
| <I/σ(I)> | 12.1 | 2.3 |
| Completeness [%] | 98.2 | |
| Redundancy | 6.3 | |
| CC(1/2) | 0.990 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | MES pH 6.5 100 mM and MPD 50 to 65% |
