2WVH
Structural insights into the pre-reaction state of pyruvate decarboxylase from Zymomonas mobilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-01 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 70.901, 111.175, 167.118 |
Unit cell angles | 89.89, 90.87, 101.27 |
Refinement procedure
Resolution | 16.970 - 2.300 |
R-factor | 0.172 |
Rwork | 0.171 |
R-free | 0.19400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zpd |
RMSD bond length | 0.005 |
RMSD bond angle | 0.872 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.350 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.130 | 0.410 |
Number of reflections | 798597 | |
<I/σ(I)> | 11.5 | 4 |
Completeness [%] | 98.1 | 97.3 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | VAPOUR DIFFUSION. RESERVIOR CONTAINS FLUORIDE 0.2 M AND PEG3350 20% W/V., PH 7.5 |