4J3E

The 1.9A crystal structure of humanized Xenopus Mdm2 with nutlin-3a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-19
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	42.887, 67.657, 67.173
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.630 - 1.910
R-factor	0.196
Rwork	0.194
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNX (2005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.910	4.110	1.910
Rmerge	0.039	0.030	0.064
Number of reflections	7488
<I/σ(I)>	46.1	53.8	29.8
Completeness [%]	95.3	89.8	85.9
Redundancy	3.8	3.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	278	100 mM ADA, pH 6, 50% SATURATED AMMONIUM SULFATE, 5% PEG200, 5 mM DTT RESERVOIR MIXED IN EQUAL VOLUME WITH THE PROTEIN AT 10 mg/mL, VAPOR DIFFUSION, HANGING DROP, temperature 278K