9BKR

Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP

Replaces:  8TRE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	30.351, 33.492, 66.081
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.040 - 1.400
R-factor	0.16416
Rwork	0.162
R-free	0.20764
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.356
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.420
High resolution limit [Å]	1.400	3.800	1.400
Rmerge	0.128	0.087	0.724
Rmeas	0.134	0.091	0.843
Rpim	0.039	0.027	0.407
Total number of observations	166083
Number of reflections	13611	779	525
<I/σ(I)>	7.9
Completeness [%]	97.9	99.4	78.2
Redundancy	12.2	11.5	4.5
CC(1/2)	0.998	0.994	0.126

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	25 % P3350, 0.2 M Mg Cl, 0.1 M Tris pH 8.5