5DXX

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	52.580, 80.970, 86.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.032 - 1.450
R-factor	0.1308
Rwork	0.130
R-free	0.16340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oya
RMSD bond length	0.006
RMSD bond angle	0.995
Data reduction software	XSCALE
Data scaling software	XSCALE
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.040		1.490
High resolution limit [Å]	1.450	6.480	1.450
Rmerge	0.046	0.034	0.229
Rmeas	0.050	0.038	0.255
Total number of observations	458761
Number of reflections	65791	710	4815
<I/σ(I)>	26.54	43.36	6.99
Completeness [%]	99.7	82.4	99.5
Redundancy	6.97

Crystallization Conditions

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