6FJS

Proteinase~K SIRAS phased structure of room-temperature, serially collected synchrotron data

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]	298
Detector technology	PIXEL
Collection date	2016-05-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 43 21 2
Unit cell lengths	67.550, 67.550, 107.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.180 - 1.900
R-factor	0.1438
Rwork	0.142
R-free	0.17140
Structure solution method	SIRAS
RMSD bond length	0.019
RMSD bond angle	1.784
Data reduction software	CrystFEL
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.180	1.930
High resolution limit [Å]	1.900	1.900
Number of reflections	37456
<I/σ(I)>	1.99
Completeness [%]	99.9
Redundancy	214.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		298	50 mM Tris-HCl pH 7.0 with 10 mM CaCl2, 0.6 M NaNO3