3WK1
Wild-type orotidine 5'-monophosphate decarboxylase from M. thermoautotrophicus complexed with orotidine 5'-monophosphate ethyl ester
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 57.800, 103.490, 73.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.600 |
R-factor | 0.1669 |
Rwork | 0.166 |
R-free | 0.18220 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3wk3 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.630 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5) |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.780 | 1.630 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmerge | 0.051 | 0.298 |
Number of reflections | 30030 | |
<I/σ(I)> | 38.2 | |
Completeness [%] | 99.9 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 293 | Sodium citrate, pH 8.5, VAPOR DIFFUSION, temperature 293K |