3Q45
Crystal structure of Dipeptide Epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Val
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-04 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 94.000, 158.200, 182.740 |
Unit cell angles | 90.00, 100.28, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.000 |
R-factor | 0.22866 |
Rwork | 0.227 |
R-free | 0.25069 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tkk |
RMSD bond length | 0.009 |
RMSD bond angle | 1.026 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 3.110 |
High resolution limit [Å] | 3.000 | 6.400 | 3.000 |
Rmerge | 0.106 | 0.028 | 0.553 |
Number of reflections | 104809 | ||
<I/σ(I)> | 12.53 | 24.52 | 2.56 |
Completeness [%] | 99.6 | 96.5 | 100 |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 277 | Precipitant contained 12% PEG 10000 and 0.1M Na-citrate, Protein solution contained 0.1M NaCl, 10% glycerol, and 0.02M D-Ala-L-Val. Protein concentration was 40 mg/mL, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |