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 |