6QNJ

Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 4.5 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	2018-10-30
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9778
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 - 1.851
R-factor	0.1816
Rwork	0.180
R-free	0.20900
RMSD bond length	0.006
RMSD bond angle	0.802
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	1.920
High resolution limit [Å]	1.851	1.851
Number of reflections	35418
<I/σ(I)>	5.2
Completeness [%]	99.7
Redundancy	119.4

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