3BHQ

CRYSTAL STRUCTURE OF A PUTATIVE TETR-FAMILY TRANSCRIPTIONAL REGULATOR (MLR_4833) FROM MESORHIZOBIUM LOTI MAFF303099 AT 1.54 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.91840, 0.97953
Spacegroup name	P 21 21 21
Unit cell lengths	54.534, 64.221, 142.613
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.841 - 1.540
R-factor	0.174
Rwork	0.173
R-free	0.19400
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.572
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.841	29.841	1.580
High resolution limit [Å]	1.540	6.890	1.540
Rmerge	0.089	0.082	0.546
Total number of observations		6088	20194
Number of reflections	74962
<I/σ(I)>	3.8	5	1.4
Completeness [%]	99.9	96.5	100
Redundancy	5	6.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	NANODROP, 1.0M LiCl, 10.0% PEG 6000, 0.1M Citrate pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K