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