2Z29
Thr109Ala dihydroorotase from E. coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-11-04 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.341, 78.498, 180.504 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.900 |
R-factor | 0.14928 |
Rwork | 0.147 |
R-free | 0.18848 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xge |
RMSD bond length | 0.013 |
RMSD bond angle | 1.389 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.051 | 0.283 |
Number of reflections | 56793 | |
<I/σ(I)> | 18 | 4.5 |
Completeness [%] | 97.2 | 94.3 |
Redundancy | 4.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.25 | 277 | 17% PEG 3350, 0.1M MES, 75mM MgCl2, 0.15M KCl, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 277K |