3GA4

Crystal structure of Ost6L (photoreduced form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.85506
Spacegroup name	I 2 2 2
Unit cell lengths	58.989, 61.076, 106.985
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.300
R-factor	0.1548
Rwork	0.153
R-free	0.18730
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	Ost6L structure solved by SAD (bromide signal)
RMSD bond length	0.009
RMSD bond angle	1.266
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	autoSHARP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.400
High resolution limit [Å]	1.300	1.300
Number of reflections	47810
<I/σ(I)>	22.4	4.5
Completeness [%]	99.9	99.7
Redundancy	7.3	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	18% PEG 3350, 50 mM Na-citrate, pH 3.0, protein solution buffer: 50 mM Tris-HCl, pH 8.0 , VAPOR DIFFUSION, SITTING DROP, temperature 277K