5C6X

Crystal structure of C-As lyase with Co(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9774
Spacegroup name	P 43 21 2
Unit cell lengths	42.420, 42.420, 117.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.995 - 1.500
R-factor	0.2039
Rwork	0.202
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c4p
RMSD bond length	0.006
RMSD bond angle	1.171
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.400	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.058	0.477
Number of reflections	18048
<I/σ(I)>	24.4	6.5
Completeness [%]	99.8	100
Redundancy	14.6	15.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M sodium acetate, 0.1 M Tris-HCl pH 8.5, 30% PEG 4000, 10 mM Co(II)