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) |
