1F29
CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (I)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1998-04-03 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.230, 155.460, 45.860 |
Unit cell angles | 90.00, 116.22, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.150 |
Rwork | 0.185 |
R-free | 0.20800 |
RMSD bond length | 0.006 |
RMSD bond angle | 24.000 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.843) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.210 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.011 | 0.172 |
Number of reflections | 25466 | |
<I/σ(I)> | 8.3 | |
Completeness [%] | 82.6 | 68.1 |
Redundancy | 7.8 | 1.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 * | 18 * | Sodium Citrate; micro seeding, 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) |