8E0T
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with DAHP Oxime in unbound:(bound)2:other conformations
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-04-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 209.846, 53.471, 149.522 |
| Unit cell angles | 90.00, 115.48, 90.00 |
Refinement procedure
| Resolution | 43.190 - 1.940 |
| R-factor | 0.2079 |
| Rwork | 0.207 |
| R-free | 0.23610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cks |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.225 |
| Data reduction software | autoPROC (1.0.5) |
| Data scaling software | autoPROC (1.0.5) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.450 | 1.980 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.057 | 0.398 |
| Rmeas | 0.069 | 0.479 |
| Rpim | 0.037 | 0.262 |
| Number of reflections | 102957 | 4715 |
| <I/σ(I)> | 14.6 | 2.2 |
| Completeness [%] | 93.4 | 85.7 |
| Redundancy | 2.8 | 2.4 |
| CC(1/2) | 0.998 | 0.866 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.1 M trilithium citrate tetrahydrate 30% (w/v) ethylene glycol |
