6IG7
Crystal structure of thermolysin delivered in polyacrylamide using x-ray free electron laser
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | PAL-XFEL BEAMLINE NCI |
Synchrotron site | PAL-XFEL |
Beamline | NCI |
Temperature [K] | 296 |
Detector technology | CCD |
Collection date | 2018-06-19 |
Detector | RAYONIX MX225-HS |
Wavelength(s) | 1.2792 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.663, 92.663, 128.591 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.124 - 1.800 |
R-factor | 0.1735 |
Rwork | 0.173 |
R-free | 0.20240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dm9 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.004 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 131.570 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 30878 | 3028 |
<I/σ(I)> | 4.67 | 1.16 |
Completeness [%] | 100.0 | 100 |
Redundancy | 663.8 | 471 |
CC(1/2) | 0.990 | 0.610 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 277.5 | Tris-HCl, NaCl |