1OKX
Binding Structure of Elastase Inhibitor Scyptolin A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 6 2 2 |
Unit cell lengths | 155.890, 155.890, 91.030 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.290 - 2.800 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.25800 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1elb |
RMSD bond length | 0.007 * |
RMSD bond angle | 1.350 * |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 * | 2.860 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.133 * | 0.390 |
Number of reflections | 16453 | 999 * |
<I/σ(I)> | 13.6 | 5.5 |
Completeness [%] | 99.0 * | 100 |
Redundancy | 8.3 | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5 | PH 5.00 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | sodium acetate | 10 (mM) | pH5.0 |
2 | 1 | drop | protein | 18 (mg/ml) | |
3 | 1 | reservoir | sodium sulfate | 0.42 (M) |