7C3Q

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	47.727, 47.727, 92.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.433 - 1.801
Rwork	0.197
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q9w 6v4f
RMSD bond length	0.010
RMSD bond angle	1.605
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]	42.433	42.400	1.900
High resolution limit [Å]	1.800	5.700	1.800
Rmerge	0.074	0.059	0.968
Rmeas	0.076	0.061	1.001
Rpim	0.015	0.013	0.244
Total number of observations		8088	20828
Number of reflections	10064	409	1350
<I/σ(I)>	25.4	56.3	2.8
Completeness [%]	95.9	100	92.1
Redundancy	23	19.8	15.4
CC(1/2)	0.999	0.999	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M HEPES sodium salt pH 7.5, 1.6 M Ammonium sulfate, 2%(w/v) PEG 1000