6OBR

PP1 Y134A in complex with Microcystin LR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	64.932, 76.550, 131.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.275 - 1.500
R-factor	0.1889
Rwork	0.188
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mov
RMSD bond length	0.015
RMSD bond angle	0.917
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]	38.280	1.520
High resolution limit [Å]	1.500	1.500
Rmerge	0.083	1.127
Number of reflections	105369	5069
<I/σ(I)>	9.6
Completeness [%]	99.8
Redundancy	7.7
CC(1/2)	0.998	0.691

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