8AWS

Millisecond cryo-trapping by the spitrobot crystal plunger, Xylose Isomerase with Glucose at 50ms

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]	293
Detector technology	PIXEL
Collection date	2022-02-22
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9763
Spacegroup name	I 2 2 2
Unit cell lengths	93.181, 98.644, 102.639
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.990 - 2.260
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rnf
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.990	2.340
High resolution limit [Å]	2.260	2.260
Rmerge	0.273
Number of reflections	17488	800
<I/σ(I)>	8.6
Completeness [%]	84.3
Redundancy	12.2
CC(1/2)	0.993	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293