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 |
