7KJN

CRYSTAL STRUCTURE OF HUMAN MDMX 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	2020-01-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	48.849, 48.849, 90.116
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.300 - 2.800
R-factor	0.2097
Rwork	0.208
R-free	0.24366
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uml
RMSD bond length	0.019
RMSD bond angle	2.897
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.149	0.870
Rpim	0.078	0.516
Number of reflections	3311	158
<I/σ(I)>	11.5	1.35
Completeness [%]	98.8	95.2
Redundancy	4.5	3.5
CC(1/2)	0.989	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	4M sodium chloride, 5% isopropanol, 0.1M HEPES pH 7.5