6GHM

Structure of PP1 alpha phosphatase bound to ASPP2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97
Spacegroup name	P 1
Unit cell lengths	46.840, 81.624, 87.966
Unit cell angles	91.06, 91.84, 103.89

Refinement procedure

Resolution	59.647 - 2.150
R-factor	0.1788
Rwork	0.177
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mov
RMSD bond length	0.006
RMSD bond angle	0.747
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.000	2.200
High resolution limit [Å]	2.150	2.150
Rpim	0.120	0.490
Number of reflections	68468
<I/σ(I)>	4.3
Completeness [%]	99.8
Redundancy	6.9
CC(1/2)	0.960	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M TRIS pH 8.5 16 % PEG 8000