4LC4

Crystal structure of probable sugar kinase protein from Rhizobium Etli CFN 42 complexed with guanosine

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-26
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 1 21 1
Unit cell lengths	51.221, 80.879, 83.323
Unit cell angles	90.00, 98.40, 90.00

Refinement procedure

Resolution	42.940 - 1.700
R-factor	0.1861
Rwork	0.183
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e3a
RMSD bond length	0.008
RMSD bond angle	1.396
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.083	0.051	0.876
Number of reflections	86474
<I/σ(I)>	7
Completeness [%]	97.7	98.8	78.4
Redundancy	3.6	3.6	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2M AMMONIUM ACETATE, 0.1M BIS:TRIS:HCL, PH 6.5,25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K