2GO2
Crystal structure of BbKI, a Kunitz-type kallikrein inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-04-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.701, 64.143, 59.244 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.730 - 1.870 |
| R-factor | 0.16799 |
| Rwork | 0.166 |
| R-free | 0.20974 |
| Structure solution method | SAD |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.173 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.440 | 1.970 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.044 | 0.207 |
| Number of reflections | 14628 | |
| <I/σ(I)> | 32.8 | 10.7 |
| Completeness [%] | 95.8 | 91.7 |
| Redundancy | 8.5 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 8%(w/v) PEG 4000, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
