6LL2

Crystal structure of glucose isomerase by fixed-target serial femtosecond crystallography

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]	297
Detector technology	CCD
Collection date	2019-11-10
Detector	RAYONIX MX225-HS
Wavelength(s)	1.2782
Spacegroup name	I 2 2 2
Unit cell lengths	92.630, 98.230, 101.607
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.623 - 1.750
R-factor	0.1724
Rwork	0.172
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zye
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.900	1.810
High resolution limit [Å]	1.750	1.750
Number of reflections	47004	4650
<I/σ(I)>	5.2	3
Completeness [%]	100.0	100
Redundancy	346.2	124.5
CC(1/2)	0.935	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7	293.5	Tris-HCl, Ammonium sulfate, Magnesium sulfate