2XIQ
Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin and malonyl-CoA
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 | 2010-05-09 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.650, 143.620, 163.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 107.820 - 1.950 |
R-factor | 0.16306 |
Rwork | 0.161 |
R-free | 0.20090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bic |
RMSD bond length | 0.015 |
RMSD bond angle | 1.577 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.910 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.110 | 0.680 |
Number of reflections | 129983 | |
<I/σ(I)> | 9.8 | 2 |
Completeness [%] | 99.3 | 97.3 |
Redundancy | 4.4 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 20% PEG3350, 0.1 M BIS-TRIS PH 5.5, 0.1 M NH4-SULPHATE |