6NDI

Crystal Structure of the Sugar Binding Domain of LacI Family Protein from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	180.737, 110.478, 37.777
Unit cell angles	90.00, 97.94, 90.00

Refinement procedure

Resolution	29.830 - 2.600
R-factor	0.18447
Rwork	0.182
R-free	0.23513
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.395
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.114	0.804
Rmeas	0.124	0.875
Rpim	0.049	0.342
Number of reflections	22623	1122
<I/σ(I)>	19.3	2.3
Completeness [%]	99.9	100
Redundancy	6.3	6.4
CC(1/2)		0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	Protein: 3.0 mg/ml, 0.01M Tris-HCl pH 8.3; Screen: Classics II (C1), 3.5M Sodium formate pH 7.0; Cryo: 4.0M Sodium formate.