3O7J
Crystal structure of 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase from Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-01-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.182, 47.317, 50.208 |
Unit cell angles | 90.00, 123.13, 90.00 |
Refinement procedure
Resolution | 25.610 - 2.000 |
R-factor | 0.21454 |
Rwork | 0.213 |
R-free | 0.24252 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q37 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.991 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 12100 | |
<I/σ(I)> | 16.5 | 2.6 |
Completeness [%] | 98.6 | 94.1 |
Redundancy | 2.4 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 22-26% PEG-8000, 0.25 M sodium acetate in pH 6.5 cacodylate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |