5C68

Crystal structure of C-As lyase at 1.46 Angstroms resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-11-25
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0088
Spacegroup name	P 43 21 2
Unit cell lengths	42.234, 42.234, 118.485
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.390 - 1.462
R-factor	0.1885
Rwork	0.187
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c4p
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.510
High resolution limit [Å]	1.460	1.460
Rmerge	0.050	0.440
Number of reflections	19428
<I/σ(I)>	54	5.3
Completeness [%]	99.6	96.1
Redundancy	25.3	12

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