1A3B
COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG1
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU FR-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-07-15 |
Detector | RIGAKU RAXIS II |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 70.150, 71.340, 71.650 |
Unit cell angles | 90.00, 100.23, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.17 * |
Rwork | 0.170 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 * |
RMSD bond angle | 1.300 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.053 | 0.325 |
Number of reflections | 32141 | |
<I/σ(I)> | 17 | 3 |
Completeness [%] | 99.2 | 98 |
Redundancy | 2.4 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.15 | 20% PEG 8000, 0.05 M SODIUM PHOSPHATE, PH 7.15 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 20 (%) | |
2 | 1 | reservoir | 0.05 (M) | ||
3 | 1 | reservoir | 0.05 (M) |