5D4F

Crystal structure of C-As lyase with Fe(III)

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	2014-10-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9774
Spacegroup name	P 43 21 2
Unit cell lengths	42.370, 42.370, 116.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.022 - 1.720
R-factor	0.212
Rwork	0.211
R-free	0.23450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c4p
RMSD bond length	0.007
RMSD bond angle	1.197
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.200	1.810
High resolution limit [Å]	1.720	1.720
Rmerge	0.055	0.462
Number of reflections	12057
<I/σ(I)>	24.8	5.6
Completeness [%]	99.9	100
Redundancy	13	13.6

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