3LY9

Crystal structure of mutant D471N of the periplasmic domain of CadC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-29
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 32 2 1
Unit cell lengths	79.730, 79.730, 126.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.050 - 2.200
R-factor	0.23
Rwork	0.228
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ly7
RMSD bond length	0.018
RMSD bond angle	1.513
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.050	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.052	0.367
Number of reflections	24083	2963
<I/σ(I)>	20.2	4.6
Completeness [%]	99.8	99.9
Redundancy		5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	20% (w/v) PEG 6000, 0.1 M Na citrate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K