6D5U
Hexagonal thermolysin cryocooled to 100 K with 50% methanol as cryoprotectant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | Agilent SuperNova |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-21 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.812, 92.812, 127.699 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 13.921 - 2.000 |
R-factor | 0.171630632732 |
Rwork | 0.169 |
R-free | 0.22332 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.537 |
Data scaling software | SCALA |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 13.930 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.260 | 0.877 |
Number of reflections | 22314 | |
<I/σ(I)> | 5.2 | 1.7 |
Completeness [%] | 99.2 | |
Redundancy | 5.7 | |
CC(1/2) | 0.976 | 0.601 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | Protein: 100 mg/mL in 45% DMSO Well: 2 M AmSO4 |