4LCA

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

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	51.525, 80.777, 82.663
Unit cell angles	90.00, 98.09, 90.00

Refinement procedure

Resolution	40.180 - 1.500
R-factor	0.2019
Rwork	0.200
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e3a
RMSD bond length	0.009
RMSD bond angle	1.339
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	1.520
High resolution limit [Å]	1.490	4.040	1.490
Rmerge	0.082	0.050	0.744
Number of reflections	104115
<I/σ(I)>	7.8
Completeness [%]	94.6	94.3	75.9
Redundancy	3.3	3.2	2.3

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