5MQW

High-speed fixed-target serial virus crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE XPP
Synchrotron site	SLAC LCLS
Beamline	XPP
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-20
Detector	CS-PAD XPP
Wavelength(s)	1.301
Spacegroup name	I 2 3
Unit cell lengths	102.800, 102.800, 102.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.676 - 2.400
R-factor	0.1138
Rwork	0.112
R-free	0.14610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ots
RMSD bond length	0.003
RMSD bond angle	0.743
Data reduction software	cctbx.xfel
Refinement software	PHENIX ((1.10.1-2155_9999: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.440
High resolution limit [Å]	2.400	2.400
Rpim	0.019	0.045
Number of reflections	7231
<I/σ(I)>	18.7	6.2
Completeness [%]	100.0	100
Redundancy	113.9	24.9
CC(1/2)	0.993	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL	7.5	301	Crystals grew within insect cell, incubated at 301K