8XP6

2OG-Fe(II) oxygenase-ColD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 2 21
Unit cell lengths	59.550, 62.750, 92.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.750 - 1.400
R-factor	0.1595
Rwork	0.159
R-free	0.17420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.858
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.750	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.064	0.301
Rmeas	0.067	0.314
Rpim	0.019	0.089
Total number of observations	765803	41912
Number of reflections	62023	3475
<I/σ(I)>	23.8	7.5
Completeness [%]	90.2
Redundancy	12.3	12.1
CC(1/2)	0.996	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M Magnesium chloride hexahydrate 0.1 M Sodium HEPES 7.5 30 % v/v PEG 400