6V4G

Crystal Structure Analysis of Zebra fish MDMX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	81.290, 108.930, 30.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.465 - 1.250
R-factor	0.1707
Rwork	0.169
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n5t
RMSD bond length	0.005
RMSD bond angle	0.826
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.470	1.270
High resolution limit [Å]	1.250	1.250
Rmeas	0.073	1.783
Rpim	0.028	0.700
Total number of observations	248825	12096
Number of reflections	38363	1894
<I/σ(I)>	11.3	1.1
Completeness [%]	99.5	99.9
Redundancy	6.5	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	100mM Tris-8.0, 2.4M ammonium sulfate