2W93
Crystal structure of the Saccharomyces cerevisiae pyruvate decarboxylase variant E477Q in complex with the surrogate pyruvamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-06 |
Detector | MARRESEARCH |
Spacegroup name | P 1 |
Unit cell lengths | 73.050, 79.220, 109.090 |
Unit cell angles | 89.23, 73.32, 62.43 |
Refinement procedure
Resolution | 103.700 - 1.600 |
R-factor | 0.181 |
Rwork | 0.181 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vk8 |
RMSD bond length | 0.235 |
RMSD bond angle | 1.345 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP (- AUTO MR) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.040 | 0.390 |
Number of reflections | 260585 | |
<I/σ(I)> | 19 | 2 |
Completeness [%] | 96.0 | 91.6 |
Redundancy | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.35 | 281 | 15 MM CITRATE, 1.67 MM MES, 300 MM PYRUVAMIDE, 1.67 MM TDP, 1.67 MM MAGNESIUM SUFATE, 1.67 MM DTT, 11.25% PEG 2000, 11.25% PEG 6000, 1.1 MG SCPDC/ML, PH 6.35, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE, 281 K |