2XWS

ANAEROBIC COBALT CHELATASE (CbiX) FROM ARCHAEOGLOBUS FULGIDUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 42 21 2
Unit cell lengths	50.980, 50.980, 101.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.990 - 1.600
R-factor	0.18679
Rwork	0.185
R-free	0.21484
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dj5
RMSD bond length	0.029
RMSD bond angle	2.402
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.500	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.050	0.130
Number of reflections	118464
<I/σ(I)>	23.6	13.3
Completeness [%]	99.4	100
Redundancy	6.4	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.8		pH 6.8