6RNF

Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 30 ms 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	2019-05-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.98
Spacegroup name	I 2 2 2
Unit cell lengths	94.600, 99.400, 87.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.720 - 1.700
R-factor	0.1521
Rwork	0.151
R-free	0.17540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kbn
RMSD bond length	0.005
RMSD bond angle	0.748
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.720	1.730
High resolution limit [Å]	1.699	1.699
Number of reflections	45700	4499
<I/σ(I)>	5.7
Completeness [%]	100.0
Redundancy	435.3

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