2WVG
Structural insights into the pre-reaction state of pyruvate decarboxylase from Zymomonas mobilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-10 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 70.277, 92.092, 98.630 |
Unit cell angles | 73.44, 85.76, 67.82 |
Refinement procedure
Resolution | 32.040 - 1.750 |
R-factor | 0.158 |
Rwork | 0.157 |
R-free | 0.18700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zpd |
RMSD bond length | 0.006 |
RMSD bond angle | 0.987 |
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] | 34.000 | 1.750 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.120 | 0.470 |
Number of reflections | 223238 | |
<I/σ(I)> | 10.7 | 2.3 |
Completeness [%] | 92.5 | 87.5 |
Redundancy | 3.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | VAPOUR DIFFUSION. THE RESERVIOR CONTAINING POTASSIUM FLUORIDE 0.2 M AND PEG3350 20% W/V., PH 7.5 |