5VM5

Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB2B9, with Ser bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	83.123, 108.728, 160.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.670
R-factor	0.19705
Rwork	0.196
R-free	0.22357
RMSD bond length	0.008
RMSD bond angle	1.322
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.700
High resolution limit [Å]	1.670	1.670
Rpim	0.043	0.894
Number of reflections	159409
<I/σ(I)>	10.7	0.9
Completeness [%]	99.7	99.7
Redundancy	10	10.2
CC(1/2)	0.998	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.85	293	15-25% PEG3350