2RHA

Crystal structure of a predicted dna-binding transcriptional regulator (saro_1072) from novosphingobium aromaticivorans dsm at 2.10 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-26
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00000
Spacegroup name	P 43 21 2
Unit cell lengths	102.837, 102.837, 111.276
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.185 - 2.100
R-factor	0.172
Rwork	0.170
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2QTQ chain A
RMSD bond length	0.017
RMSD bond angle	1.649
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	EPMR
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.185	29.185	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.081	0.030	0.816
Total number of observations		1742	12508
Number of reflections	35346
<I/σ(I)>	6.8	20.2	0.9
Completeness [%]	99.8	93.8	100
Redundancy	4.8	4	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	NANODROP, 1.6M (NH4)2SO4, 0.1M Citrate pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K