1JQ6
HUMAN CYTOMEGALOVIRUS PROTEASE DIMER-INTERFACE MUTANT, S225Y
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-11-09 |
Detector | FUJI |
Wavelength(s) | 0.976 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 42.270, 108.300, 108.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.300 - 2.300 |
R-factor | 0.229 * |
Rwork | 0.229 |
R-free | 0.28600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1WPO (monomer) |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | COMO |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.300 | 2.440 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.057 * | 0.172 * |
Total number of observations | 38153 * | |
Number of reflections | 10420 | |
Completeness [%] | 91.0 | 93 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 * | 21 * | PEG 8000, sodium cacodylate, magnesium acetate, glycerol, spermine tetrahydrochloride, DTT, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 16 (%(w/v)) | |
10 | 1 | drop | dithiothreitol | 1 (mM) | |
2 | 1 | reservoir | sodium cacodylate | 0.1 (M) | |
3 | 1 | reservoir | 0.15 (M) | ||
4 | 1 | reservoir | glycerol | 2.5 (%(v/v)) | |
5 | 1 | reservoir | spermine tetrahydrochloride | 20 (mM) | |
6 | 1 | reservoir | dithiothreitol | 2 (mM) | |
7 | 1 | drop | protein | 25 (mg/ml) | |
8 | 1 | drop | 20 (mM) | ||
9 | 1 | drop | EDTA | 0.1 (mM) |