2REQ
METHYLMALONYL-COA MUTASE, NON-PRODUCTIVE COA COMPLEX, IN OPEN CONFORMATION REPRESENTING SUBSTRATE-FREE STATE
Experimental procedure
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1995-07 |
Detector | MAR scanner 180 mm plate |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 104.950, 162.060, 104.200 |
Unit cell angles | 90.00, 108.75, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
Rwork | 0.259 |
R-free | 0.32500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1req |
RMSD bond length | 0.012 |
RMSD bond angle | 0.041 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.092 | 0.338 |
Number of reflections | 113512 | |
<I/σ(I)> | 6 | 2.1 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 4.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 23 * | PROTEIN SOLUTION: 20 MG/ML PROTEIN, 1MM ADENOSYLCOBALAMIN, 2MM COA, 1MM DTT, TRIS -HCL PH 7.5. RESERVOIR SOLUTION: 17.5% (W/V) PEG4000, 20% GLYCEROL (V/V), 100MM TRIS-HCL PH 7.5. EQUAL VOLUMES OF PROTEIN SOLUTION WERE MIXED AND EQUILIBRATED BY VAPOR DIFFUSION., vapor diffusion |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | drop | coenzyme B12 | 1 (mM) | |
3 | 1 | drop | CoA | 2 (mM) | |
4 | 1 | drop | dithiothreitol | 1 (mM) | |
5 | 1 | drop | Tris-HCl | ||
6 | 1 | reservoir | PEG4000 | 17.5 (%(w/v)) | |
7 | 1 | reservoir | glycerol | 20 (%(v/v)) | |
8 | 1 | reservoir | Tris-HCl | 100 (mM) |