7AS7

Crystal structure of the GCD-associated TGFBIp mutant R124H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	77.370, 93.870, 214.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.850 - 2.650
R-factor	0.2188
Rwork	0.213
R-free	0.28470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nv6
RMSD bond length	0.013
RMSD bond angle	1.550
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.850	2.745
High resolution limit [Å]	2.650	2.650
Rmerge	0.206
Rmeas	0.222
Number of reflections	23038	2262
<I/σ(I)>	7.71
Completeness [%]	99.8	99.6
Redundancy	6.9	7.1
CC(1/2)	0.996	0.365

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	292	0.1 M DL-Malic acid pH 7.0, 12% w/v PEG 3350