4RK6

Crystal structure of LacI family transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926, with bound glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-25
Detector	ADSC QUANTUM 315r
Spacegroup name	P 43 21 2
Unit cell lengths	102.564, 102.564, 128.055
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.760
R-factor	0.16854
Rwork	0.168
R-free	0.19826
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.344
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.790
High resolution limit [Å]	1.760	1.760
Rmerge	0.077	0.610
Number of reflections	67129
<I/σ(I)>	33.3	4.6
Completeness [%]	98.3	100
Redundancy	12	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	protein in 10 mM Bis-Tris, 500 mM sodium chloride, 10% glycerol, 5 mM DTT, TEV protease (1:100 ratio), reservoir: 0.641 M malonic acid, 0.088 M ammonium citrate tribasic, 0.042 M succinic acid, 0.105 M DL-malic acid, 0.14 M sodium acetate, 0.175 M sodium formate, 0.056 M ammonium tartrate dibasic, cryoprotectant = reservoir + 100 mM glucose, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K