7C44

Crystal structure of the p53-binding domain of human MdmX protein in complex with Nutlin3a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	47.470, 47.470, 91.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.611 - 1.650
Rwork	0.207
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q9w 6v4f
RMSD bond length	0.012
RMSD bond angle	1.699
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.148	42.148	1.940
High resolution limit [Å]	1.632	5.810	1.650
Rmerge	0.060	0.045	0.854
Rmeas	0.062	0.046	0.882
Rpim	0.013	0.010	0.215
Number of reflections	13154	378	1362
<I/σ(I)>	28.4
Completeness [%]	100.0	99.9	100
Redundancy	22.7	18.9	16.4
CC(1/2)	1.000	1.000	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	20% v/v Tacsimate pH 7.0, 0.1 M HEPES sodium salt pH 7.5, 2% (w/v) PEG 200