6H2M

Long wavelength Mesh&Collect native SAD phasing on microcrystals

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.892
Spacegroup name	I 2 2 2
Unit cell lengths	61.630, 85.670, 88.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.430 - 1.929
R-factor	0.1495
Rwork	0.146
R-free	0.17660
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.680
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.430	1.998
High resolution limit [Å]	1.929	1.929
Rmeas	0.148	0.458
Number of reflections	34104	2389
<I/σ(I)>	18.89	4.93
Completeness [%]	99.6	94.7
Redundancy	18.2	9.1
CC(1/2)	0.999	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	drops made from equal amounts of protein solution (1 l, 10 mg/ml in water) and reservoir solution (1l, 34%(v/v) PEG 1500), buffered with 5mM HEPES, pH 6.0