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 |