8AWB

Xylose Isomerase in 90% relative humidity environment

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	2022-02-16
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9763
Spacegroup name	I 2 2 2
Unit cell lengths	93.839, 99.357, 102.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.140 - 2.300
R-factor	0.176
Rwork	0.174
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rnf
RMSD bond length	0.002
RMSD bond angle	0.509
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.140	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	18853	944
<I/σ(I)>	6.9
Completeness [%]	81.0
Redundancy	3.3
CC(1/2)	0.859	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	293	100 mM HEPES 200 mM Lithium Sulphate 35% Peg3350