2XIJ
Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-21 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.360, 137.720, 198.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.200 - 1.950 |
| R-factor | 0.16007 |
| Rwork | 0.158 |
| R-free | 0.19902 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bic |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.591 |
| 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] | 47.800 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.080 | 0.520 |
| Number of reflections | 59702 | |
| <I/σ(I)> | 13.2 | 2.5 |
| Completeness [%] | 98.1 | 97.6 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 30% PEG3350, 0.1 M BIS-TRIS PH 5.5, 0.3 M NH4-SULPHATE |
