4J74

The 1.2A crystal structure of humanized Xenopus MDM2 with RO0503918 - a nutlin fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	77
Detector technology	PIXEL
Collection date	2012-08-21
Detector	PSI PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	42.950, 68.554, 67.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.400 - 1.200
R-factor	0.229
Rwork	0.229
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.200
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNX (2005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.000	65.000	1.180
High resolution limit [Å]	1.120	3.550	1.120
Rmerge	0.058	0.034	0.512
Number of reflections	34640
<I/σ(I)>	5.5	15.3	1.5
Completeness [%]	93.3	99	78.7
Redundancy	6.1	5.6	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	278	40-50% SATURATED AMMONIUM SULFATE, 0.1M MES, PH 6.5, 5% PEG200, VAPOR DIFFUSION, HANGING DROP, temperature 278.0K