9G6B

cbb3-2 NOH complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	75.000, 84.190, 191.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.370 - 2.900
R-factor	0.2216
Rwork	0.220
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.041
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.900	12.000	2.900
Rmerge	0.155	0.046	1.376
Rmeas	0.172	0.052	1.566
Number of reflections	26651	401	2483
<I/σ(I)>	9.67
Completeness [%]	96.3
Redundancy	4.7
CC(1/2)	0.996	0.999	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	glycerol ethoxylate, MES pH 6.3, NaCl