3GBT

Crystal structure of gluconate kinase from Lactobacillus acidophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	110
Detector technology	CCD
Collection date	2009-02-12
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	122.638, 96.008, 72.940
Unit cell angles	90.00, 93.32, 90.00

Refinement procedure

Resolution	40.079 - 2.400
R-factor	0.2009
Rwork	0.199
R-free	0.23060
Structure solution method	SAD
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX (AUTOSOL)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.146	0.606
Number of reflections	33170
<I/σ(I)>	11.2	1.7
Completeness [%]	97.1	88.3
Redundancy	5.8	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	0.1 M Sodium citrate tribasic dihydrate pH 5.6, 35% v/v tert-Butanol, VAPOR DIFFUSION, SITTING DROP, temperature 291K