3JZK

crystal structure of MDM2 with chromenotriazolopyrimidine 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	34.530, 34.530, 161.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
Rwork	0.300
R-free	0.32000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t4e
RMSD bond length	0.011
RMSD bond angle	1.730
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.059	0.290
Number of reflections	5900
<I/σ(I)>	19	3.8
Completeness [%]	93.4	82
Redundancy	3.73

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	2.4 M (NH4)2SO4, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K