8E0Z
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase unbound:(bound)2:unbound Conformations
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-04-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 210.719, 53.130, 150.200 |
Unit cell angles | 90.00, 115.46, 90.00 |
Refinement procedure
Resolution | 43.370 - 2.400 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.21610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cks |
RMSD bond length | 0.009 |
RMSD bond angle | 1.205 |
Data reduction software | MOSFLM (7.4.0) |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.480 | 2.470 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.085 | 0.172 |
Rmeas | 0.101 | 0.205 |
Rpim | 0.053 | 0.111 |
Number of reflections | 58010 | 4122 |
<I/σ(I)> | 8.9 | 4.5 |
Completeness [%] | 97.7 | 91 |
Redundancy | 3.3 | 2.9 |
CC(1/2) | 0.990 | 0.952 |
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, 1 mM DAHP oxime, 30% (v/v) ethylene glycol, 1:1:0.2, then soaked with 8 mM DAHP oxime |