5Y9L
Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-12-16 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 58.895, 90.926, 92.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.680 - 2.150 |
| R-factor | 0.21138 |
| Rwork | 0.208 |
| R-free | 0.27555 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qxi |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.773 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 100.000 |
| High resolution limit [Å] | 2.150 |
| Number of reflections | 12132 |
| <I/σ(I)> | 11.4 |
| Completeness [%] | 87.8 |
| Redundancy | 5.2 |
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 |
