5T9Q
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] | 293 |
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 | 93.708, 93.708, 130.866 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.927 - 2.100 |
R-factor | 0.1536 |
Rwork | 0.151 |
R-free | 0.20580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dnz |
RMSD bond length | 0.021 |
RMSD bond angle | 1.249 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.100 |
Number of reflections | 20006 |
<I/σ(I)> | 11.4 |
Completeness [%] | 97.4 |
Redundancy | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 293 | 1.4 M (NH 4 ) 2 SO 4 , 12% glycerol, 100 mM Tris buffer, pH 8.3 |