4ZGK

Structure of Mdm2 with low molecular weight inhibitor.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	36.610, 56.550, 97.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.191
Rwork	0.188
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tj2
RMSD bond length	0.013
RMSD bond angle	1.874
Data reduction software	MOSFLM (7.0.9)
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.893	29.305	2.110
High resolution limit [Å]	1.739	6.320	2.000
Rmerge		0.096	0.322
Rmeas	0.151
Rpim	0.071	0.047	0.186
Total number of observations	46290	1596	6232
Number of reflections	11908
<I/σ(I)>	6.3	11.4	3.4
Completeness [%]	84.8	78.9	86.8
Redundancy	3.9	4.1	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.1 M HEPES pH 7.5 containing 30% PEG 1000