2HK7
Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with mercury at 2.5 angstrom resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-10-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9918,1.0072,1.0084,1.0087 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.181, 74.928, 190.046 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.420 - 2.500 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.27200 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Phasing software | MADSYS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.084 | 0.507 |
| Number of reflections | 17682 | |
| <I/σ(I)> | 14.8 | 2 |
| Completeness [%] | 93.6 | 82.9 |
| Redundancy | 3.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Soaking | 6.4 | 292 | 0.1 mM ethyl mercuric phosphate in 0.1 M MES (pH 6.4-6.6), 12% PEG20K, Soaking, temperature 292K |
