6T7J

As-isolated Ni-free crystal structure of carbon monoxide dehydrogenase from Thermococcus sp. AM4 produced without CooC maturase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184, 1.732, 1.479
Spacegroup name	P 21 21 2
Unit cell lengths	268.138, 64.061, 100.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.320 - 2.430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b53
RMSD bond length	0.009
RMSD bond angle	0.875
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.320	2.480
High resolution limit [Å]	2.340	2.340
Number of reflections	73992	11596
<I/σ(I)>	8.19
Completeness [%]	99.3
Redundancy	6.61
CC(1/2)	0.997	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1 M phosphate/citrate pH 4.2, 40% (w/v) polyethyleneglycol 300