1AI8
HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH THE EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROMPG
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-11-15 |
Detector | RIGAKU RAXIS II |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.714, 71.464, 71.648 |
Unit cell angles | 90.00, 99.82, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.850 |
Rwork | 0.170 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dwe |
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 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.065 | 0.420 |
Number of reflections | 29239 | |
<I/σ(I)> | 13 | 2 |
Completeness [%] | 96.1 | 92.5 |
Redundancy | 2.6 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 7 * | 277 | Bode, W., (1989) EMBO J., 8, 3467. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | PEG6000 | 16 (%) | |
2 | 1 | 1 | phosphate | 0.2 (M) |