6SIN

Fragment AZ-020 binding at the p53pT387/14-3-3 sigma interface

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-07
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	82.302, 112.448, 62.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.140 - 1.640
Rwork	0.172
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5moc
Data reduction software	MOSFLM
Data scaling software	Aimless
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.410	1.720
High resolution limit [Å]	1.640	1.640
Rmerge	0.083	0.934
Number of reflections	35534	5089
<I/σ(I)>	16.2	2.2
Completeness [%]	99.5
Redundancy	6.7
CC(1/2)	0.998	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT