4CCS

The structure of CbiX, the terminal Enzyme for Biosynthesis of Siroheme in Denitrifying Bacteria

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	193
Detector technology	PIXEL
Collection date	2011-09-10
Detector	DECTRIS PILATUS 2M
Spacegroup name	P 61 2 2
Unit cell lengths	130.450, 130.450, 56.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.220 - 1.900
R-factor	0.196
Rwork	0.194
R-free	0.23740
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	autoSHARP
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.220	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.080	0.750
Number of reflections	23026
<I/σ(I)>	24.9	3.7
Completeness [%]	100.0	100
Redundancy	14.2	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.2M IMIDAZOLE MALATE PH 5.5, 24% PEG 600
1				0.2M IMIDAZOLE MALATE PH 5.5, 24% PEG 600