3QDK

Structural insight on mechanism and diverse substrate selection strategy of ribulokinase

Replaces:  3JVP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	56.683, 88.840, 230.525
Unit cell angles	90.00, 92.75, 90.00

Refinement procedure

Resolution	48.310 - 2.310
R-factor	0.224
Rwork	0.224
R-free	0.27400
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.350
High resolution limit [Å]	2.310	2.310
Rmerge	0.065	0.165
Number of reflections	99100
<I/σ(I)>	13.4	4
Completeness [%]	98.1	87.8
Redundancy	3.6	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	30% PEG4K, 0.2M Sodium acetate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	30% PEG4K, 0.2M Sodium acetate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K