4X7G

CobK precorrin-6A reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	53.090, 60.280, 76.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.290 - 1.220
R-factor	0.17809
Rwork	0.177
R-free	0.19702
Structure solution method	SAD
RMSD bond length	0.029
RMSD bond angle	2.831
Data reduction software	XSCALE
Data scaling software	Aimless
Phasing software	SHELX
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.300	1.220
High resolution limit [Å]	1.220	1.000
Rmerge	0.138	0.596
Number of reflections	73880
<I/σ(I)>	16.254	6.6
Completeness [%]	99.2	99.2
Redundancy	7.09

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	291	18% w/v PEG 3350, 0.2 M NH4 Cl