5TPI

1.47 Angstrom Crystal Structure of the C-terminal Substrate Binding Domain of LysR Family Transcriptional Regulator 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	2016-10-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	93.756, 40.228, 68.211
Unit cell angles	90.00, 129.41, 90.00

Refinement procedure

Resolution	26.350 - 1.470
R-factor	0.13886
Rwork	0.137
R-free	0.18060
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.394
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.500
High resolution limit [Å]	1.470	1.470
Rmerge	0.037	0.638
Number of reflections	33672
<I/σ(I)>	35.8	2.3
Completeness [%]	99.6	99.7
Redundancy	4.5	4.3
CC(1/2)		0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	Protein: 18.0 mg/ml, 0.3M Sodium chloride, 0.01M HEPES pH 7.5, Screen: 3.2M NaCl, 0.1M Bis-Tris-propane (pH=7.0); Cryo: Paratone.