6GXF

The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: RADDAM1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	293
Detector technology	PIXEL
Collection date	2017-05-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00890
Spacegroup name	P 1 21 1
Unit cell lengths	41.320, 78.540, 83.560
Unit cell angles	90.00, 102.92, 90.00

Refinement procedure

Resolution	40.722 - 1.800
R-factor	0.2243
Rwork	0.222
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r3u
RMSD bond length	0.006
RMSD bond angle	0.820
Data reduction software	XDS (nXDS)
Data scaling software	XSCALE (nXSCALE)
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.420	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	48178
<I/σ(I)>	2.9
Completeness [%]	99.8
Redundancy	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	PEG 3350 18 - 20 % CaCl 200 mM TrisHCL 100 mM pH 8.5