5NWK

14-3-3c in complex with CPP and fusicoccin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	99.806, 165.661, 170.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.318 - 3.300
R-factor	0.2308
Rwork	0.229
R-free	0.28580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o9d
RMSD bond length	0.012
RMSD bond angle	0.731
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.320	3.420
High resolution limit [Å]	3.300	3.300
Rpim	0.132	0.304
Number of reflections	43249	4259
<I/σ(I)>	5.6	2.7
Completeness [%]	100.0	100
Redundancy	7.5	7.6
CC(1/2)	0.978	0.407

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M potassium thiocyanate, 30% w/v PEG MME 2000