5DXY

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	51.682, 80.430, 84.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.382 - 1.770
R-factor	0.1548
Rwork	0.153
R-free	0.18350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dxx
RMSD bond length	0.006
RMSD bond angle	1.038
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.4.0)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.770	4.800	1.770
Rmerge	0.066	0.027	0.298
Total number of observations	243177
Number of reflections	34967
<I/σ(I)>	15.7
Completeness [%]	99.8	99.2	99.8
Redundancy	7	6.7	6.8

Crystallization Conditions

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