7RUE
DAHP synthase complexed with trifluoropyruvate semicarbazone
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 | 210.281, 53.200, 150.790 |
| Unit cell angles | 90.00, 116.01, 90.00 |
Refinement procedure
| Resolution | 50.210 - 2.500 |
| R-factor | 0.2044 |
| Rwork | 0.201 |
| R-free | 0.26330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cks |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.116 |
| 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] | 72.020 | 2.580 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.111 | 0.418 |
| Rmeas | 0.133 | 0.329 |
| Rpim | 0.073 | 0.397 |
| Number of reflections | 52544 | 4524 |
| <I/σ(I)> | 6.8 | 2.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.2 | 3.3 |
| CC(1/2) | 0.991 | 0.801 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.2 M trilithium citrate tetrahydrate 20% (w/v) PEG 3350 1 M MnCl2 2 mM trifluoropyruvate semicarbazone |
