6QND

Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 60 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	2018-12-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	I 2 2 2
Unit cell lengths	95.020, 99.560, 87.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.055 - 2.001
R-factor	0.1858
Rwork	0.184
R-free	0.21920
RMSD bond length	0.007
RMSD bond angle	0.785
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]	20.055	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	28312
<I/σ(I)>	4.5
Completeness [%]	99.6
Redundancy	54.8

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