6SIQ

Fragment AZ-012 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	2016-05-02
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	82.340, 112.004, 62.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.585 - 1.601
Rwork	0.182
R-free	0.21750
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]	62.570	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.219	0.375
Rpim	0.103	0.335
Number of reflections	31724	1615
<I/σ(I)>	25.5	2.7
Completeness [%]	81.7	29.1
Redundancy	8	1.4
CC(1/2)	0.905	0.768

Crystallization Conditions

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