6QXV

Pink beam serial crystallography: Proteinase K, 1 us exposure, 1585 patterns merged (2 chips)

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID09
Synchrotron site	ESRF
Beamline	ID09
Temperature [K]	298
Detector technology	PIXEL
Collection date	2017-07-15
Detector	PSI JUNGFRAU 1M
Wavelength(s)	0.80580-0.8262
Spacegroup name	P 43 21 2
Unit cell lengths	68.620, 68.620, 104.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.700 - 1.940
R-factor	0.1756
Rwork	0.170
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kxv
Data reduction software	CrystFEL (0.6.3)
Data scaling software	CrystFEL (0.6.3)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.700	2.009
High resolution limit [Å]	1.940	1.940
Number of reflections	18492
<I/σ(I)>	4.6
Completeness [%]	96.3
Redundancy	23.1
CC(1/2)	0.876	0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	298	0.1M CHC buffer pH 6.6, 0.7M ammonium sulphate and 10mM calcium chloride