6YGW

TGT W178F mutant labelled mit 5F-Trp crystallised at pH 5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	90.305, 65.345, 70.134
Unit cell angles	90.00, 95.99, 90.00

Refinement procedure

Resolution	44.910 - 1.160
R-factor	0.1145
Rwork	0.114
R-free	0.13210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pud
RMSD bond length	0.007
RMSD bond angle	0.977
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.910	1.230
High resolution limit [Å]	1.160	1.160
Number of reflections	130261	19851
<I/σ(I)>	21.18
Completeness [%]	92.9
Redundancy	4.7
CC(1/2)	0.999	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	288	100 mM TRIS pH 8.5, 1 mM DTT, 10% (v/v) DMSO, 13% (m/v) PEG8000