4AN6
Kuntiz type trypsin inhibitor with factor Xa inhibitory activity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-01-30 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.431, 60.428, 105.536 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.050 - 1.940 |
R-factor | 0.19303 |
Rwork | 0.190 |
R-free | 0.24029 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tie |
RMSD bond length | 0.008 |
RMSD bond angle | 1.431 |
Data reduction software | HKL-2000 |
Data scaling software | DENZO |
Phasing software | CCP4 |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.960 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.040 | 0.260 |
Number of reflections | 19581 | |
<I/σ(I)> | 19.44 | 3.65 |
Completeness [%] | 97.5 | 75.7 |
Redundancy | 3 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 25% V/V PEG 3350. 0.2 M MAGNESIUM FORMATE, PH 7.0 |