8E0X
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with Mn(II), PEP, and Pi in unbound:(bound)2:other Conformations
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-02-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 210.717, 53.181, 150.366 |
| Unit cell angles | 90.00, 115.80, 90.00 |
Refinement procedure
| Resolution | 43.480 - 1.970 |
| R-factor | 0.1882 |
| Rwork | 0.188 |
| R-free | 0.21410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cks |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.055 |
| 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] | 67.650 | 2.050 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.050 | 0.420 |
| Rmeas | 0.058 | 0.492 |
| Rpim | 0.030 | 0.254 |
| Number of reflections | 105376 | 5157 |
| <I/σ(I)> | 17.7 | 3.2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.6 | |
| CC(1/2) | 0.999 | 0.884 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.1 M trilithium citrate tetrahydrate, 10% (w/v) PEG 3350, 5 mM DAHP oxime, 5 mM phosphoenolpyruvate, 5 mM erythrose 4-pohsphate, 30% (v/v) ethylene glycol, 1:1:0.2 |
