8AWY

Millisecond cryo-trapping by the spitrobot crystal plunger, Serial measurement Xylose Isomerase with 2,3-butanediol 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	92.700, 102.350, 99.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.270 - 1.600
R-factor	0.1753
Rwork	0.174
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rnf
RMSD bond length	0.005
RMSD bond angle	0.847
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.270	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	62424	6154
<I/σ(I)>	9.7
Completeness [%]	100.0
Redundancy	662
CC(1/2)	0.979	0.952

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