2QMX
The crystal structure of L-Phe inhibited prephenate dehydratase from Chlorobium tepidum TLS
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918, 0.97932 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 86.870, 127.886, 56.595 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.130 - 2.300 |
| R-factor | 0.22306 |
| Rwork | 0.219 |
| R-free | 0.28899 |
| Structure solution method | MAD |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.288 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.130 | 2.370 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.072 | 0.257 |
| Number of reflections | 23798 | |
| <I/σ(I)> | 35.5 | 5.8 |
| Completeness [%] | 82.8 | 52.6 |
| Redundancy | 6.4 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 289 | 30% v/v PEG 400, 0.1M Acetate, 0.2M Calcium Acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
