6ND7

The crystal structure of TerB co-crystallized with polyporic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033, 1.319
Spacegroup name	P 21 21 21
Unit cell lengths	58.498, 80.991, 139.955
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.422 - 1.360
R-factor	0.1176
Rwork	0.116
R-free	0.14680
Structure solution method	SIRAS
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.422	47.422	1.290
High resolution limit [Å]	1.250	5.600	1.250
Rmerge	0.052	0.038	1.772
Rmeas	0.068	0.050	2.442
Total number of observations	609294
Number of reflections	292990	3826	6743
<I/σ(I)>	7.93	21.39	0.3
Completeness [%]	82.9	96.5	25.7
Redundancy	2.08	2.194	1.228
CC(1/2)	0.996	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	1:1 6mg/mL TerB protein 3mM polyporic acid in 33% isopropyl to 25% PEG 3350, 200 mM NaCl, 100mM HEPES, pH 7.5. Cryoprotected with 20% glycerol addition to mother liquor