3NIP
Crystal structure of Pseudomonas aeruginosa guanidinopropionase complexed with 1,6-diaminohexane
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 4A |
Synchrotron site | PAL/PLS |
Beamline | 4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 264.748, 134.719, 87.785 |
Unit cell angles | 90.00, 104.37, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.19264 |
Rwork | 0.191 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nio |
RMSD bond length | 0.010 |
RMSD bond angle | 1.298 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.500 |
Rmerge | 0.108 |
Number of reflections | 101621 |
<I/σ(I)> | 15.8 |
Completeness [%] | 99.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 297 | 0.1M lithium sulfate, 0.1M tri-sodium citrate at pH 5.6, 12% (w/v) PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 297K |