5WR6
Thermolysin, liganded form with cryo condition 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.929, 92.929, 129.140 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.200 - 2.300 |
R-factor | 0.154 |
Rwork | 0.153 |
R-free | 0.18200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ow3 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.500 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.116 | 0.313 |
Number of reflections | 14641 | |
<I/σ(I)> | 10.2 | 3.6 |
Completeness [%] | 96.0 | 99 |
Redundancy | 3.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG2000MME, MES, CaCl2 |