1EDG
SINGLE CRYSTAL STRUCTURE DETERMINATION OF THE CATALYTIC DOMAIN OF CELCCA CARRIED OUT AT 15 DEGREE C
Experimental procedure
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X31 |
Temperature [K] | 288 |
Detector technology | IMAGE PLATE |
Collection date | 1994-11-14 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.400, 76.200, 113.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 1.600 |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.23150 * |
RMSD bond length | 0.007 |
RMSD bond angle | 1.700 |
Data reduction software | DENZO |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 1.600 |
Rmerge | 0.072 * |
Total number of observations | 355167 * |
Number of reflections | 59967 |
Completeness [%] | 98.0 |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6 | 4 * | Roig, V., (1993) J. Mol. Biol., 233, 325. * |
1 | Vapor diffusion, hanging drop * | 6 | 4 * | Roig, V., (1993) J. Mol. Biol., 233, 325. * |
1 | Vapor diffusion, hanging drop * | 6 | 4 * | Roig, V., (1993) J. Mol. Biol., 233, 325. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 13 (mg/ml) | |
2 | 1 | drop | reservoir | 0.002ml | |
3 | 1 | reservoir | PEG4000 | 20-23 (%(w/v)) | |
4 | 1 | reservoir | sodium citrate | 50-100 (mM) |