5DRH

Crystal structure of apo C-As lyase

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	2013-10-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 43 21 2
Unit cell lengths	44.120, 44.120, 117.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.307 - 2.270
R-factor	0.2311
Rwork	0.230
R-free	0.25640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c4p
RMSD bond length	0.003
RMSD bond angle	0.829
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]	44.120	2.390
High resolution limit [Å]	2.270	2.270
Rmerge	0.079	0.413
Number of reflections	5898
<I/σ(I)>	24.1	8.9
Completeness [%]	100.0	100
Redundancy	12.8	13.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2 M sodium acetate, 0.1 M Tris-HCl, pH 8.5, 30% PEG4000