4N4E
Thermolysin in complex with UBTLN58
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 | 2012-07-19 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.505, 92.505, 131.488 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.814 - 1.130 |
R-factor | 0.1217 |
Rwork | 0.121 |
R-free | 0.13750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8tln |
RMSD bond length | 0.005 |
RMSD bond angle | 1.128 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1492)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.150 |
High resolution limit [Å] | 1.130 | 1.130 |
Number of reflections | 118776 | |
<I/σ(I)> | 32.6 | 6.31 |
Completeness [%] | 95.9 | 78.7 |
Redundancy | 10.4 | 6.9 |
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, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K |