3W69

Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-03-02
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	53.562, 65.761, 81.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.180 - 1.900
R-factor	0.21038
Rwork	0.209
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rv1
RMSD bond length	0.013
RMSD bond angle	2.127
Data reduction software	PROCESS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.800	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.069	0.475
Number of reflections	22162
<I/σ(I)>	8.3	1.5
Completeness [%]	95.5	95.2
Redundancy	2.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	293	2.4M Ammonium sulfate, 5% PEG 200, 0.1M Tris HCl, pH 8.1 , VAPOR DIFFUSION, SITTING DROP, temperature 293K