6YGM

TGT W95F 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	2019-07-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	84.536, 64.970, 71.251
Unit cell angles	90.00, 94.00, 90.00

Refinement procedure

Resolution	42.170 - 1.230
R-factor	0.137
Rwork	0.136
R-free	0.15980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pud
RMSD bond length	0.007
RMSD bond angle	0.932
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]	42.170	1.310
High resolution limit [Å]	1.230	1.230
Number of reflections	107425	16748
<I/σ(I)>	16.11
Completeness [%]	97.5
Redundancy	3.8
CC(1/2)	0.999	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	288	100 mM MES pH 5.5, 0.5 mM DTT, 10% (v/v) DMSO, 13% (m/v) PEG8000