1WBG
Active site thrombin inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-12-04 |
Detector | RIGAKU CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.392, 71.785, 71.733 |
Unit cell angles | 90.00, 99.87, 90.00 |
Refinement procedure
Resolution | 27.210 - 2.200 |
R-factor | 0.171 |
Rwork | 0.166 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qj1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.430 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | IN-HOUSE (SOFTWARE) |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.070 | 0.230 |
Number of reflections | 17712 | |
<I/σ(I)> | 10.1 | 3.6 |
Completeness [%] | 97.6 | 95.4 |
Redundancy | 2.04 | 1.85 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | PH 7.50 |