5DY2

Crystal structure of Dbr2 with mutation M27L

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	52.620, 81.020, 86.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.310 - 1.570
R-factor	0.1618
Rwork	0.161
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dxx
RMSD bond length	0.006
RMSD bond angle	0.992
Data reduction software	XSCALE
Data scaling software	XSCALE
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.310		1.610
High resolution limit [Å]	1.570	7.020	1.570
Rmerge	0.078	0.028	0.486
Rmeas	0.084	0.030	0.523
Total number of observations	379523
Number of reflections	52385	664	3823
<I/σ(I)>	23.75	54.81	5.81
Completeness [%]	100.0	97.8	100
Redundancy	7.24

Crystallization Conditions

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