6QHX

Time resolved structural analysis of the full turnover of an enzyme - 6156 ms

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	2016-06-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9627
Spacegroup name	P 1 21 1
Unit cell lengths	41.700, 79.500, 84.450
Unit cell angles	90.00, 103.20, 90.00

Refinement procedure

Resolution	19.973 - 1.850
R-factor	0.2252
Rwork	0.224
R-free	0.25430
RMSD bond length	0.003
RMSD bond angle	0.586
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_3051: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.230	1.890
High resolution limit [Å]	1.850	1.850
Number of reflections	45800
<I/σ(I)>	2.5
Completeness [%]	99.9
Redundancy	28.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	18-20 % (w/v)) PEG3350, 200 mM CaCl2, and 100 mM Tris-HCl pH 8.5