6NPW

SSu72/Sympk in complex with Ser2/Ser5 phosphorylated peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.033
Spacegroup name	P 4
Unit cell lengths	127.702, 127.702, 105.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.943 - 2.486
R-factor	0.1908
Rwork	0.189
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4imi
RMSD bond length	0.005
RMSD bond angle	0.694
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.550
High resolution limit [Å]	2.486	2.490
Number of reflections	59967	4110
<I/σ(I)>	11.97
Completeness [%]	100.0
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	12% PEG3350 (w/v) and 100 mM HEPE pH 8.0