2A9F
Crystal structure of a putative malic enzyme ((S)-malate:NAD+ oxidoreductase (decarboxylating))
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9790, 0.97939, 0.95 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.258, 79.253, 145.594 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.790 - 2.500 |
| R-factor | 0.2604 |
| Rwork | 0.260 |
| R-free | 0.30440 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.600 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.513 | |
| Number of reflections | 28042 | |
| <I/σ(I)> | 14.2 | |
| Completeness [%] | 99.0 | 89 |
| Redundancy | 12.3 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | NaCl, BisTris, PEG3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
