3DEQ
Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Leu dipeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-09-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 191.581, 191.581, 283.234 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.910 - 2.100 |
R-factor | 0.246 |
Rwork | 0.246 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tkk |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 25.000 |
High resolution limit [Å] | 2.100 |
Rmerge | 0.092 |
Number of reflections | 172337 |
Completeness [%] | 97.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 3.0 M Sodium chloride, 0.1 M Sodium acetate trihydrate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |