4UDY

NCO- bound to cluster C of Ni,Fe-CO dehydrogenase at true-atomic resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-12
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	112.183, 75.008, 71.149
Unit cell angles	90.00, 111.22, 90.00

Refinement procedure

Resolution	33.160 - 1.090
R-factor	0.1363
R-free	0.16480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	0.031
Data reduction software	XSCALE
Data scaling software	XSCALE
Refinement software	SHELXL (14)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.800	1.130
High resolution limit [Å]	1.090	1.090
Rmerge	0.060	0.770
Number of reflections	223489
<I/σ(I)>	12.8
Completeness [%]	98.0	94.6
Redundancy	3.69	3.47

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		pH 8.0