6OBU

PP1 Y134K in complex with Microcystin LR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	65.348, 78.362, 134.038
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.170 - 1.950
R-factor	0.1668
Rwork	0.165
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mov
RMSD bond length	0.009
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.170	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.117	0.925
Number of reflections	49637	2812
<I/σ(I)>	10.9
Completeness [%]	97.3
Redundancy	7.3
CC(1/2)	0.997	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	20% PEG6000, 1 M lithium chloride, 0.1 M MES, pH 6.0