6RKM

Fragment AZ-022 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	2017-08-03
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	C 2 2 21
Unit cell lengths	81.780, 112.510, 62.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.490 - 1.880
R-factor	0.18077
Rwork	0.178
R-free	0.22994
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5moc
RMSD bond length	0.012
RMSD bond angle	1.466
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.490	1.930
High resolution limit [Å]	1.880	1.880
Rmeas	0.125	0.400
Number of reflections	20426	1290
<I/σ(I)>	8.5	3.1
Completeness [%]	87.0	86.4
Redundancy	4	3.8
CC(1/2)	0.975	0.865

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.