6DAO

NahE WT selenomethionine

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00, 1.5
Spacegroup name	P 32 2 1
Unit cell lengths	85.310, 85.310, 133.313
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.080 - 1.939
R-factor	0.1493
Rwork	0.145
R-free	0.18510
RMSD bond length	0.008
RMSD bond angle	0.874
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.010
High resolution limit [Å]	1.939	1.939
Number of reflections	42138
<I/σ(I)>	15
Completeness [%]	100.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298.15	0.1 M 2-morpholin-4-ylethanesulfonic acid (MES) buffer (pH 6.5-8.0) and 21-26% PEG 2000 monomethyl ether (MME)