6OGM

Crystal structure of apo unFused 4-OT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	39.628, 81.570, 96.231
Unit cell angles	90.00, 95.65, 90.00

Refinement procedure

Resolution	47.880 - 1.865
R-factor	0.1837
Rwork	0.182
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6blm
RMSD bond length	0.007
RMSD bond angle	0.921
Data reduction software	HKL-2000 (v1.0)
Data scaling software	HKL-2000 (v1.0)
Phasing software	PHENIX (1.14)
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.880	1.930
High resolution limit [Å]	1.860	1.860
Rpim	0.070	0.313
Number of reflections	50873	17024
<I/σ(I)>	9.54	1.97
Completeness [%]	97.4	93.3
Redundancy	3.6	3.5
CC(1/2)	0.991	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298.15	200 mM magnesium acetate, 28% PEG3550