9G61

Xylose Isomerase collected at 50C using serial fixed-target crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	323
Detector technology	PIXEL
Collection date	2023-09-26
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9763
Spacegroup name	I 2 2 2
Unit cell lengths	94.200, 103.050, 99.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.490 - 1.700
R-factor	0.1604
Rwork	0.159
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.665
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.490	1.761
High resolution limit [Å]	1.700	1.700
Number of reflections	53297	5253
<I/σ(I)>	4.87
Completeness [%]	99.0
Redundancy	436.3
CC(1/2)	0.965	0.452

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		295	(35% (w/v) PEG 3350, 200 mM LiSO4 and 10 mM Hepes/NaOH, pH 7.5)