5DVZ

Holo TrpB from Pyrococcus furiosus

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	2014-12-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	87.051, 111.882, 160.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.330 - 1.690
R-factor	0.20322
Rwork	0.202
R-free	0.22772
RMSD bond length	0.006
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.720
High resolution limit [Å]	1.690	1.690
Number of reflections	161910
<I/σ(I)>	7.3	0.6
Completeness [%]	99.6	99.9
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.85	298.15	20% PEG3350, 0.1 M HEPES