2QTQ

Crystal structure of a predicted dna-binding transcriptional regulator (saro_1072) from novosphingobium aromaticivorans dsm at 1.85 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-30
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97926, 0.97870
Spacegroup name	P 21 21 21
Unit cell lengths	66.465, 98.762, 164.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.501 - 1.850
R-factor	0.186
Rwork	0.185
R-free	0.21600
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.241
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.501	29.501	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.059	0.036	0.747
Total number of observations		3820	28104
Number of reflections	91044
<I/σ(I)>	14.2	16.5	1.6
Completeness [%]	98.3	91.9	97.4
Redundancy	4.2	3.6	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277	NANODROP, 0.2M K2NO3, 20.0% PEG 3350, No Buffer pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K