1F2C
CRYSTAL STRUCTURE ANALYSIS OF CRYZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (IV)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1998-09-25 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.020, 51.590, 54.160 |
Unit cell angles | 90.00, 99.74, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
Rwork | 0.176 |
R-free | 0.22600 |
RMSD bond length | 0.006 |
RMSD bond angle | 24.100 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.843) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.060 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.118 | 0.221 |
Number of reflections | 12860 | |
<I/σ(I)> | 9.7 | |
Completeness [%] | 96.3 | 95 |
Redundancy | 4.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 * | 18 * | Sodium Citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10-12 (mg/ml) | |
2 | 1 | drop | bis tris | 2 (mM) | |
3 | 1 | reservoir | sodium citrate | 0.6-1.0 (M) |