6RK8

Fragment AZ-014 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	2018-02-10
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	C 2 2 21
Unit cell lengths	82.264, 112.131, 62.878
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.029 - 1.602
R-factor	0.2048
Rwork	0.203
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5moc
RMSD bond length	0.010
RMSD bond angle	0.993
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]	34.030	1.630
High resolution limit [Å]	1.600	1.600
Rmeas	0.091	0.549
Number of reflections	34320	446
<I/σ(I)>	13.2	1.2
Completeness [%]	88.9	23.7
Redundancy	5.6	1.4
CC(1/2)	0.999	0.551

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.