8HDG

Small peptide enhances the binding of nutline-3a to MdmX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	47.844, 47.879, 92.233
Unit cell angles	90.00, 90.05, 90.00

Refinement procedure

Resolution	47.844 - 1.730
Rwork	0.204
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c3y
RMSD bond length	0.009
RMSD bond angle	1.572
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (REFMAC5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.844	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.092	1.256
Rmeas	0.094	1.289
Rpim	0.019	0.287
Total number of observations		12710
Number of reflections	43877	639
<I/σ(I)>	25.4	2.1
Completeness [%]	100.0
Redundancy	23.7	19.9
CC(1/2)	1.000	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	20% v/v Tacsimate pH7.0, 0.1 M HEPES pH7.5, 2% v/v Polythylene glycol 200