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 |