7RUD
DAHP synthase complex with trifluoropyruvate oxime
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 209.789, 52.190, 149.800 |
| Unit cell angles | 90.00, 115.82, 90.00 |
Refinement procedure
| Resolution | 71.550 - 2.800 |
| R-factor | 0.2042 |
| Rwork | 0.200 |
| R-free | 0.28730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cks |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.139 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.550 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.173 | 0.694 |
| Number of reflections | 36022 | 4513 |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 97.9 | |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M trilithium citrate tetrahydrate 20% (w/v) PEG 3350 40% (v/v) 1,3-propanediol 1.8 mM trifluoropyruvate oxime |
