3KEQ

Crystal structure of a Rex-family transcriptional regulatory protein from Streptococcus agalactiae complexed with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-03
Detector	MAR CCD 165 mm
Wavelength(s)	1.0379
Spacegroup name	P 21 21 21
Unit cell lengths	57.670, 71.470, 113.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.470 - 2.400
R-factor	0.22671
Rwork	0.223
R-free	0.29176
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3keo
RMSD bond length	0.017
RMSD bond angle	1.678
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.470	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.042	0.532
Number of reflections	18880
<I/σ(I)>	27.3	3.65
Completeness [%]	99.4	100
Redundancy	6	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	17% PEG 3350, 175 mM sodium fluoride, 100 mM BisTrisPropane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K