3JZR

Human MDM2 liganded with a 12mer peptide inhibitor (pDI6W)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54
Spacegroup name	I 2 2 2
Unit cell lengths	37.223, 68.832, 92.391
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.000 - 2.100
R-factor	0.194
Rwork	0.194
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t4f
RMSD bond length	0.008
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.120	0.320
Number of reflections	7261
<I/σ(I)>	30.1	8.4
Completeness [%]	99.8	100
Redundancy	4.4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292	2.2 M DL-Malic acid, 100 mM Tris HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K