5YJK
Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-01-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 59.286, 86.576, 89.059 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.930 - 2.400 |
| R-factor | 0.20702 |
| Rwork | 0.205 |
| R-free | 0.24243 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.887 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 62.078 |
| High resolution limit [Å] | 2.400 |
| Number of reflections | 8171 |
| <I/σ(I)> | 11.7 |
| Completeness [%] | 87.6 |
| Redundancy | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG1000, PEG3350, 2-methyl-2,4-pentanediol, sodium nitrate, sodium hydrogen phosphate, ammonium sulfate, bicine/trizma buffer |
