6D5S
Hexagonal thermolysin cryocooled to 100 K with 50% MPD as cryoprotectant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | Agilent SuperNova |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-15 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.960, 92.960, 128.832 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 13.808 - 2.000 |
R-factor | 0.145866263787 |
Rwork | 0.144 |
R-free | 0.19081 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.622 |
Data scaling software | SCALA |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 13.810 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.120 | 0.425 |
Number of reflections | 22529 | |
<I/σ(I)> | 15.2 | 4.4 |
Completeness [%] | 98.9 | |
Redundancy | 7.2 | |
CC(1/2) | 0.996 | 0.903 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | Protein: 100 mg/mL in 45% dams Well: 2 M AmSO4 |