4JUU
Crystal structure of a putative hydroxyproline epimerase from xanthomonas campestris (TARGET EFI-506516) with bound phosphate and unknown ligand
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 | 2013-03-06 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.893, 108.749, 116.204 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.388 - 1.750 |
R-factor | 0.1536 |
Rwork | 0.152 |
R-free | 0.18420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jbd |
RMSD bond length | 0.010 |
RMSD bond angle | 1.260 |
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] | 79.402 | 5.530 | 1.840 |
High resolution limit [Å] | 1.750 | 3.910 | 1.750 |
Rmerge | 0.074 | 0.029 | 0.725 |
Total number of observations | 30211 | 72237 | |
Number of reflections | 70700 | ||
<I/σ(I)> | 18 | 21.5 | 1.1 |
Completeness [%] | 99.7 | 99.9 | 99.4 |
Redundancy | 7.3 | 7.1 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Protein (15 mM Hepes pH 8.0, 150 mM NaCl, 5% glycerol, 10 mM 4OH-PROLINE), Reservoir (0.1 M HEPES pH 7.5, 0.8 M Sodium Phosphate, 0.8 M Potassium Phosphate), Soak 2 minutes in (Reservoir + 20% Glycerol), VAPOR DIFFUSION, SITTING DROP, temperature 298K |