5TAD
Conformational Sampling Differences across the Arrhenius Plot Biphasic Break Point at Ambient Temperature in the Enzyme Thermolysin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 297 |
Detector technology | IMAGE PLATE |
Collection date | 2012-05-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54178 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 93.779, 93.779, 131.076 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.150 - 2.090 |
R-factor | 0.1492 |
Rwork | 0.147 |
R-free | 0.19740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dnz |
RMSD bond length | 0.021 |
RMSD bond angle | 1.260 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.090 |
Number of reflections | 20382 |
<I/σ(I)> | 17 |
Completeness [%] | 97.5 |
Redundancy | 15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 293 | 1.4 M Na 2 KPO 4 pH 6.9 |