7ASG

TGFBIp mutant R555W

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	2018-06-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	78.060, 98.490, 207.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.240 - 2.000
R-factor	0.2074
Rwork	0.206
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nv6
RMSD bond length	0.016
RMSD bond angle	1.467
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]	49.240	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.188
Rmeas	0.198
Number of reflections	54442	5356
<I/σ(I)>	8.38
Completeness [%]	99.8	99.6
Redundancy	10.4	10.5
CC(1/2)	0.998	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	292	0.5 M Succinic acid pH 7.0, 0.1 M BIS-TRIS propane pH 7.0