3I83
Crystal structure of 2-dehydropantoate 2-reductase from Methylococcus capsulatus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97958 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.851, 79.179, 100.626 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.22700 |
Structure solution method | SAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.523 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | SHELXCD |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.605 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.098 | 0.475 |
Number of reflections | 48181 | |
<I/σ(I)> | 15.6 | 4.9 |
Completeness [%] | 99.5 | 99.2 |
Redundancy | 10.7 | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.7 | 294 | 100mM sodium acetate pH 4.7, 16% PEG 4K, 100mM ammonium acetate, vapor diffusion, temperature 294K |