1CCW
STRUCTURE OF THE COENZYME B12 DEPENDENT ENZYME GLUTAMATE MUTASE FROM CLOSTRIDIUM COCHLEARIUM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 105 |
Detector technology | IMAGE PLATE |
Collection date | 1998-05-15 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.430, 113.050, 108.300 |
Unit cell angles | 90.00, 95.79, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.600 |
R-factor | 0.123 * |
R-free | 0.17100 * |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 2.200 * |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | CCP4 |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.065 * | 0.173 * |
Total number of observations | 441525 * | |
Number of reflections | 190420 | |
<I/σ(I)> | 5.4 | 2.7 |
Completeness [%] | 94.1 | 94.1 |
Redundancy | 2.9 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | pH 4.6, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | (2S,3S)-4-FLUOROGLUTAMATE | ||
2 | 1 | 1 | CDCL2 | ||
3 | 1 | 1 | VITAMIN B12 | ||
4 | 1 | 1 | PEG 6000 | ||
5 | 1 | 1 | D/L TARTARIC ACID |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 3.5 (mg/ml) | |
2 | 1 | drop | 2 (mM) | ||
3 | 1 | drop | (2S,4S)-45-fluoroglutamate | 5 (mM) | |
4 | 1 | drop | B12(cyano-or-methylcobalamin) | 2.5 (mg/ml) | |
5 | 1 | drop | Na cacodylate | 10 (mM) | |
6 | 1 | reservoir | PEG4000 | 6 (%(w/v)) | |
7 | 1 | reservoir | DL-tartaric acid | 100 (M) |