6IRK

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 CSI
Synchrotron site	PAL-XFEL
Beamline	CSI
Temperature [K]	296
Detector technology	CCD
Collection date	2018-10-29
Detector	RAYONIX MX225-HS
Wavelength(s)	1.2782
Spacegroup name	I 2 2 2
Unit cell lengths	93.050, 99.000, 101.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.013 - 1.750
R-factor	0.1827
Rwork	0.182
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y4j
RMSD bond length	0.010
RMSD bond angle	1.078
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.940	1.810
High resolution limit [Å]	1.750	1.750
Number of reflections	47861	4736
<I/σ(I)>	4.03	1.45
Completeness [%]	100.0	100
Redundancy	356.8	125.2
CC(1/2)	0.928	0.796

Crystallization Conditions

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