8PQM

The DNA-binding domain of L-lactate utilization repressor (LutR-DBD) from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9797
Spacegroup name	P 21 21 21
Unit cell lengths	28.310, 38.370, 66.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.380 - 1.460
R-factor	0.20402
Rwork	0.202
R-free	0.23735
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.572
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	4.350	1.550
High resolution limit [Å]	1.460	3.090	1.460
Rmerge	0.067	0.037	3.119
Rmeas	0.073	0.040	3.388
Number of reflections	24387	1655	3958
<I/σ(I)>	12.26
Completeness [%]	100.0
Redundancy	6.76
CC(1/2)	0.999	0.999	0.319

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Morpheus screen solution: 0.1 M sodium HEPES/MOPS (acid) buffer system (pH 7.5), 37.5% (v/v) 2 methyl 2,4 pentanediol, 37.5% (v/v) PEG 1000, 37.5% (v/v) PEG 3350, 0.03 M NaF, 0.03 M NaBr, 0.03 M NaI Volume ratio (protein:solution) = 1ul : 2ul Plate: EasyXtal 15 well plate (NeXtal Biotechnologies, Holland)