6QNI

Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 1.0 s timepoint

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	2018-09-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	I 2 2 2
Unit cell lengths	94.620, 99.380, 87.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.690 - 1.846
R-factor	0.1668
Rwork	0.165
R-free	0.19580
RMSD bond length	0.007
RMSD bond angle	0.904
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.690	1.910
High resolution limit [Å]	1.846	1.846
Number of reflections	35595
<I/σ(I)>	7.4
Completeness [%]	99.4
Redundancy	366.8

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