5L41
Thermolysin in complex with JC148 (MPD cryo protectant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-06 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.598, 92.598, 130.822 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.646 - 1.250 |
R-factor | 0.1081 |
Rwork | 0.107 |
R-free | 0.12950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8tln |
RMSD bond length | 0.011 |
RMSD bond angle | 1.110 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.330 |
High resolution limit [Å] | 1.250 | 1.250 |
Number of reflections | 91628 | |
<I/σ(I)> | 19.76 | 4.87 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 12.82 | 12.39 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | 50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO |