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 |