8E0Y
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with DAHP oxime, Pr(III), 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 | 2010-01-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 209.851, 53.254, 150.543 |
Unit cell angles | 90.00, 115.59, 90.00 |
Refinement procedure
Resolution | 46.470 - 2.010 |
R-factor | 0.2027 |
Rwork | 0.202 |
R-free | 0.21940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cks |
RMSD bond length | 0.010 |
RMSD bond angle | 1.367 |
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] | 46.470 | 2.040 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.063 | 0.280 |
Rmeas | 0.073 | 0.330 |
Rpim | 0.038 | 0.172 |
Number of reflections | 98720 | 4845 |
<I/σ(I)> | 12.1 | 3.4 |
Completeness [%] | 97.5 | 96.1 |
Redundancy | 3.6 | 3.6 |
CC(1/2) | 0.998 | 0.947 |
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 Doxime, 0.1 M praseodymium(III) acetate hydrate, 1:1:0.2 |