7NJG

Xylose isomerase grown inside HARE serial crystallography chip

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	2020-07-05
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9762
Spacegroup name	I 2 2 2
Unit cell lengths	94.450, 99.750, 103.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.570 - 1.900
R-factor	0.2036
Rwork	0.202
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qni
RMSD bond length	0.003
RMSD bond angle	0.598
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.040	49.880
High resolution limit [Å]	1.700	1.900
Number of reflections	38718	3834
<I/σ(I)>	2.3
Completeness [%]	100.0
Redundancy	111
CC(1/2)	0.789	0.415

Crystallization Conditions

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