9CDZ

Crystal Structure of MDM2-Peptide Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-31
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97935
Spacegroup name	P 1 21 1
Unit cell lengths	36.775, 48.930, 49.266
Unit cell angles	90.00, 111.64, 90.00

Refinement procedure

Resolution	24.470 - 1.720
R-factor	0.2264
Rwork	0.222
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.699
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.470	1.810
High resolution limit [Å]	1.720	1.720
Rmerge	0.068	1.650
Rpim	0.030	0.750
Number of reflections	15978	2539
<I/σ(I)>	11.1	1.1
Completeness [%]	91.4	100
Redundancy	6.8	6.7
CC(1/2)	0.998	0.529

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30 % w/v polyacylate 5100, sodium salt, 10% ethanol and 0.1 M MES-NaOH