3T2H
Tetragonal thermolysin in the presence of TMAO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OTHER |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-09 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 96.892, 96.892, 105.549 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.170 - 1.950 |
R-factor | 0.15551 |
Rwork | 0.154 |
R-free | 0.18272 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1l3f |
RMSD bond length | 0.017 |
RMSD bond angle | 1.408 |
Data reduction software | CrysalisPro |
Data scaling software | SCALA (3.3.16) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.174 | 20.174 | 2.060 |
High resolution limit [Å] | 1.950 | 6.170 | 1.950 |
Rmerge | 0.042 | 0.217 | |
Number of reflections | 37207 | ||
<I/σ(I)> | 21 | 11.6 | 3.3 |
Completeness [%] | 99.8 | 96.8 | 99.3 |
Redundancy | 6.9 | 8.3 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 100 mg/mL protein in 45% DMSO, Mixing solution 45% DMSO, 1 M NaCl, 1 M ZnCl2, 0.1 M MES pH 6.0, Well 30% saturated AmSO4, Soak done in 3 M TMAO, VAPOR DIFFUSION, HANGING DROP, temperature 298K |