3RMU
Crystal structure of human Methylmalonyl-CoA epimerase, MCEE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-08 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.120, 66.690, 76.980 |
Unit cell angles | 90.00, 90.10, 90.00 |
Refinement procedure
Resolution | 36.590 - 1.800 |
R-factor | 0.18961 |
Rwork | 0.187 |
R-free | 0.23722 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 30A4 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.505 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.490 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.076 | 0.565 |
Number of reflections | 49519 | |
<I/σ(I)> | 8.9 | 2 |
Completeness [%] | 99.2 | 99.7 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 30% PEG smears (PEG400, PEG550 MME, PEG600, PEG1000), 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K |