8P0D

Human 14-3-3 sigma in complex with human MDM2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-27
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.91001
Spacegroup name	C 2 2 21
Unit cell lengths	82.588, 111.824, 62.551
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.640 - 1.310
R-factor	0.1788
Rwork	0.177
R-free	0.20360
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.170
Data reduction software	xia2 (3.8.dev0)
Data scaling software	DIALS (3.dev.615-gfee771ddc)
Phasing software	BUSTER (2.10.4)
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	1.330	1.330
High resolution limit [Å]	1.310	1.310
Rmerge	0.139	3.200
Rmeas	0.145	3.324
Rpim	0.039	0.892
Number of reflections	69740	3449
<I/σ(I)>	9.7	0.5
Completeness [%]	100.0	99.7
Redundancy	13.5	13.6
CC(1/2)	0.998	0.299

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	1 M HEPES pH 7.4 to 7.6, 0.19 M CaCl2, 30 to 31 % PEG 400, 5 % glycerol