4HH0

Dark-state structure of AppA C20S without the Cys-rich region from Rb. sphaeroides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-06-22
Detector	PSI PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 32 1 2
Unit cell lengths	70.260, 70.260, 382.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.601 - 2.600
R-factor	0.187
Rwork	0.185
R-free	0.22670
Structure solution method	native data for SAD phase extension
RMSD bond length	0.005
RMSD bond angle	0.870
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX-AutoSol
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.052	0.629
Number of reflections	33847
<I/σ(I)>	18.2	2.63
Completeness [%]	99.7	99.8
Redundancy	5.5	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.3M tris chloride buffer, 1.3M sodium chloride, 0.3M magnesium chloride, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K