8AWD

Xylose Isomerase in 95% 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	93.480, 99.110, 102.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.550 - 1.850
R-factor	0.1616
Rwork	0.160
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rnf
RMSD bond length	0.014
RMSD bond angle	1.254
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]	49.550	1.916
High resolution limit [Å]	1.850	1.850
Rmerge	0.307
Number of reflections	40811	3990
<I/σ(I)>	4.54
Completeness [%]	99.7
Redundancy	5.9
CC(1/2)	0.975	0.289

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