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 |
