4J9X
Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with trans-4-hydroxy-l-proline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-14 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.755, 90.097, 103.913 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.763 - 1.700 |
R-factor | 0.1958 |
Rwork | 0.194 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2azp |
RMSD bond length | 0.006 |
RMSD bond angle | 1.093 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | AMoRE |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 103.913 | 90.097 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.088 | 0.045 | 0.531 |
Total number of observations | 17443 | 66281 | |
Number of reflections | 77405 | ||
<I/σ(I)> | 11.6 | 11.9 | 1.5 |
Completeness [%] | 99.5 | 98.7 | 99 |
Redundancy | 6.7 | 6.6 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop vapor diffuction | 5.6 | 298 | Protein (15 mM Hepes pH 8.0, 150 mM NaCl, 5% glycerol, 20 mM TRANS-4-HYDROXY-L-PROLINE), Reservoir (0.17 M Ammonium Acetate, 0.085 M Sodium Citrate pH 5.6, 25.5 %(w/v) PEG 4000, 15 %(v/v) Glycerol), Soak 2 minutes in (Reservoir + 20% Ethylene Glycol, 100 mM TRANS-4-HYDROXY-L-PROLINE), sitting drop vapor diffuction, temperature 298K |