5ZXF

The 1.25A Crystal structure of His6-tagged Mdm2 in complex with nutlin-3a

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	2018-04-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	42.575, 43.222, 53.853
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.420 - 1.250
R-factor	0.2191
Rwork	0.218
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.806
Data reduction software	HKL-2000
Data scaling software	Aimless (0.6.2)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.420	1.320
High resolution limit [Å]	1.250	1.250
Rmerge	0.073	0.648
Rmeas	0.077	0.702
Rpim	0.023	0.261
Number of reflections	27731	3735
<I/σ(I)>	20.2
Completeness [%]	98.8	93
Redundancy	11.7	6.8
CC(1/2)	0.996	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M NaOAc, 1.2M AmSO4, Seeding.