4J25
Crystal structure of a Pseudomonas putida prolyl-4-hydroxylase (P4H)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979500 |
Spacegroup name | P 1 |
Unit cell lengths | 45.330, 62.160, 132.830 |
Unit cell angles | 91.84, 94.70, 90.08 |
Refinement procedure
Resolution | 62.127 - 1.970 |
R-factor | 0.2127 |
Rwork | 0.212 |
R-free | 0.25730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2g1m |
RMSD bond length | 0.009 |
RMSD bond angle | 1.049 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (0.1.16) |
Phasing software | PHASER (2.5.1) |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.130 | 2.020 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.069 | 0.551 |
Number of reflections | 99718 | |
<I/σ(I)> | 10.6 | 2.3 |
Completeness [%] | 97.7 | 96.7 |
Redundancy | 3.8 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.1M MIB buffer pH 5.0, 25% PEG 1500, 2mM MnCl2, 5mM OGA, VAPOR DIFFUSION, SITTING DROP, temperature 293K |