6RJZ

Fragment AZ-015 binding at the p53pT387/14-3-3 sigma interface

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-21
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	C 2 2 21
Unit cell lengths	81.914, 112.563, 62.662
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.960 - 1.580
R-factor	0.191
Rwork	0.190
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5moc
RMSD bond length	0.009
RMSD bond angle	0.988
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.960	1.610
High resolution limit [Å]	1.580	1.580
Rmeas	0.104	0.457
Number of reflections	30248	186
<I/σ(I)>	13	1.5
Completeness [%]	75.9	9.4
Redundancy	6.3
CC(1/2)	0.996	0.663

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.