5ZFI
Mouse kallikrein 7 in complex with 6-benzyl-1,4-diazepan-7-one derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-01-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 70.850, 70.850, 98.022 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.150 - 1.800 |
| R-factor | 0.18752 |
| Rwork | 0.185 |
| R-free | 0.22727 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zfh |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.276 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.284 | |
| Number of reflections | 22651 | |
| <I/σ(I)> | 15.4 | |
| Completeness [%] | 95.1 | |
| Redundancy | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | PEG400, PEG 8000, magnesium chloride, Tris/HCl |
