6MJF

Catalytic Domain of dbOphMA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97911
Spacegroup name	P 32
Unit cell lengths	109.543, 109.543, 167.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.641 - 2.198
R-factor	0.2329
Rwork	0.231
R-free	0.26700
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.622
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXS
Refinement software	PHENIX ((???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.867	2.205
High resolution limit [Å]	2.198	2.198
Rmerge	0.100	0.726
Rmeas		0.885
Rpim	0.069	0.498
Number of reflections	113414	1163
<I/σ(I)>	10.4	1.9
Completeness [%]	99.0	100
Redundancy	5.7	6.1
CC(1/2)	0.996	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	282.15	2 mM SAH, 0.24 or 0.26 M NaF, 20- 26% PEG3350, and 0.1 M Bis-tris propane at pH 6.5