5CPG
R-Hydratase PhaJ1 from Pseudomonas aeruginosa in the unliganded form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2012-02-02 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.530, 65.721, 77.453 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.345 - 1.694 |
R-factor | 0.1753 |
Rwork | 0.173 |
R-free | 0.21880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iq6 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.463 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.720 |
High resolution limit [Å] | 1.690 | 4.590 | 1.690 |
Rmerge | 0.073 | 0.020 | 0.926 |
Rmeas | 0.075 | 0.021 | 0.973 |
Rpim | 0.020 | 0.006 | 0.288 |
Total number of observations | 503743 | ||
Number of reflections | 35882 | ||
<I/σ(I)> | 10.7 | ||
Completeness [%] | 97.5 | 99.5 | 89.8 |
Redundancy | 14 | 12.1 | 10.6 |
CC(1/2) | 1.000 | 0.706 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 15 - 20% PEG 3350, 20% glycerol, 0.1 M Bis-Tris pH 6.0-6.5 |