3NIO
Crystal structure of Pseudomonas aeruginosa guanidinobutyrase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6B |
Synchrotron site | PAL/PLS |
Beamline | 6B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-16 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0626 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.047, 158.954, 84.547 |
Unit cell angles | 90.00, 114.84, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.23409 |
Rwork | 0.233 |
R-free | 0.25105 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gq7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.216 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.097 |
Number of reflections | 133054 |
<I/σ(I)> | 24.4 |
Completeness [%] | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | 10mM cobalt(II) chloride, 0.1M MES at pH 6.5, 1.8M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 297K |