3T74
Thermolysin In Complex With UBTLN27
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-25 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.600, 92.600, 131.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.797 - 1.280 |
R-factor | 0.1065 |
Rwork | 0.105 |
R-free | 0.12710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8tln |
RMSD bond length | 0.013 |
RMSD bond angle | 1.318 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.300 |
High resolution limit [Å] | 1.280 | 1.280 |
Number of reflections | 83375 | |
<I/σ(I)> | 30.4 | 5.3 |
Completeness [%] | 97.3 | 95.4 |
Redundancy | 5.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 50 mM Tris, 1.9 M cesium chloride, 50% DMSO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |