5YZ7

Crystal structure of OsD14 in complex with D-ring-opened 7'-carba-4BD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-01-20
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	48.501, 88.795, 118.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.543 - 1.898
R-factor	0.1911
Rwork	0.189
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vxk
RMSD bond length	0.005
RMSD bond angle	0.862
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.898	1.900
Rmerge	0.054	0.238
Number of reflections	76731
<I/σ(I)>	38.8	12.2
Completeness [%]	97.1	89.4
Redundancy	13.9	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	PEG 20000, HEPES