7ASC

TGFBIp mutant A546T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	206.760, 206.760, 127.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.310 - 4.800
R-factor	0.251
Rwork	0.250
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nv6
RMSD bond length	0.007
RMSD bond angle	1.412
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]	80.310	4.973
High resolution limit [Å]	4.800	4.800
Rmerge	0.139	2.900
Number of reflections	14000	1376
<I/σ(I)>	11.1
Completeness [%]	99.7
Redundancy	13
CC(1/2)	0.999	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	292	25 mM BIS-TRIS propane pH 9.0, 5% v/v PEG-mme 550, 1% PEG 3350