4PEF

Dbr1 in complex with sulfate

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]	100
Detector technology	CCD
Collection date	2011-12-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.2863
Spacegroup name	P 21 21 21
Unit cell lengths	73.217, 141.694, 213.216
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.183 - 1.960
R-factor	0.1932
Rwork	0.191
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MAD-derived model
RMSD bond length	0.008
RMSD bond angle	1.135
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.980	2.070
High resolution limit [Å]	1.960	1.960
Rmerge		0.500
Number of reflections	154682
<I/σ(I)>	13.3	2.6
Completeness [%]	97.2	92
Redundancy	4.8	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	0.2 M lithium sulfate, 0.1 M bis-tris, 25% PEG 3350, 8.5% glycerol, 1.0 mM adenosine-2',5'-diphosphate, 2.0 mM manganese sulfate