5DY3

Crystal structure of Dbr2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	51.893, 80.797, 84.303
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.192 - 1.820
R-factor	0.1555
Rwork	0.153
R-free	0.18940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.850
High resolution limit [Å]	1.820	4.940	1.820
Rmerge	0.086	0.042	0.385
Rmeas	0.092	0.046	0.415
Rpim	0.034	0.018	0.154
Total number of observations	234028
Number of reflections	32510
<I/σ(I)>	10
Completeness [%]	100.0	100	100
Redundancy	7.2	6.8	7.3
CC(1/2)		0.993	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	278	0.1M Bis-Tris, 25% PEG3350