8AWV

Millisecond cryo-trapping by the spitrobot crystal plunger, Xylose Isomerase with Glucose at 500ms

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	92.656, 98.675, 102.376
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.190 - 2.080
R-factor	0.15
Rwork	0.148
R-free	0.18680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rnf
RMSD bond length	0.006
RMSD bond angle	0.819
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.190	1.574
High resolution limit [Å]	1.520	1.520
Rmerge	0.144
Number of reflections	34366	341
<I/σ(I)>	10.6
Completeness [%]	53.3
Redundancy	8.67
CC(1/2)	0.998	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	35% (w/v) PEG3350, 200 mM lithium sulfate and 10 mM Hepes/NaOH pH 7.5