7KJM

CRYSTAL STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH D-PEPTIDE INHIBITOR (DPMI-OMEGA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 2 21 21
Unit cell lengths	37.355, 38.451, 138.022
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.060 - 1.400
R-factor	0.1856
Rwork	0.184
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lnj
RMSD bond length	0.013
RMSD bond angle	1.580
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.090	0.867
Rpim	0.048	0.471
Number of reflections	40059	1990
<I/σ(I)>	31.4	1.3
Completeness [%]	99.2	99.5
Redundancy	4.4	4.1
CC(1/2)	0.988	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	30% isopropanol, 15% PEG 8000, 0.1 M imidazole pH 6.5