5FAH
KALLIKREIN-7 IN COMPLEX WITH COMPOUND1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-23 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97991 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.611, 60.343, 80.633 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.290 - 1.100 |
R-factor | 0.1884 |
Rwork | 0.188 |
R-free | 0.19650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1spj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.110 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.290 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.087 | 0.334 |
Number of reflections | 65233 | |
<I/σ(I)> | 34.7 | 2.2 |
Completeness [%] | 96.0 | 73.9 |
Redundancy | 3.8 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.5 microlitre Protein solution were mixed with 0.5 microlitre RESERVOIR solution. PROTEIN SOLUTION: 24.6 MG/ML KALLIKREIN 7, 50 MM SODIUM ACETATE PH 5.6, 100 MM NACL, 2 MM INHIBITOR, 1.8% DMSO, RESERVOIR SOLUTION: 35% PEG 3350, 100 MM SODIUM ACETATE PH 4.8, 200 MM CALCIUM CHLORIDE. CRYO: FLASH FREEZING IN LIQUID NITROGEN WITHOUT ADDITIONAL CRYO SOLUTION. |