5UNI

Critical role of water molecules for proton translocation of the membrane-bound transhydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2015-10-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.99
Spacegroup name	C 2 2 21
Unit cell lengths	84.858, 108.936, 109.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.340 - 2.200
R-factor	0.18831
Rwork	0.186
R-free	0.22343
RMSD bond length	0.019
RMSD bond angle	1.958
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]	43.340	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.066
Number of reflections	24963
<I/σ(I)>	11.5
Completeness [%]	96.0
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.5	293	1:1 60 mg/mL protein / 1-(8Z-pentadecenoyl)-rac-glycerol (mixed using a mechanical syringe mixer) in MAG 8.7 and precipitant (30% PEG400, 0.1 M MES, pH 6.5, 0.1-0.4 M magnesium nitrate, 1.0-2.5% benzamidine hydrochloride)