1A3E
COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG2
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-07-09 |
Detector | RIGAKU RAXIS II |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.204, 72.041, 73.012 |
Unit cell angles | 90.00, 100.93, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.850 |
R-factor | 0.176 * |
Rwork | 0.170 |
R-free | 0.22400 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hgt |
RMSD bond length | 0.016 * |
RMSD bond angle | 2.245 * |
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 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.070 | 0.390 * |
Number of reflections | 30363 | |
<I/σ(I)> | 13 | 2.2 |
Completeness [%] | 98.5 | 97.4 |
Redundancy | 3.15 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.15 | 20% PEG 8000, 0.05M 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) |