3R9L

Crystal structure of nucleoside diphosphate kinase from Giardia lamblia featuring a disordered dinucleotide binding site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97946
Spacegroup name	P 63 2 2
Unit cell lengths	116.960, 116.960, 62.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.400 - 2.650
R-factor	0.2359
Rwork	0.234
R-free	0.26630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1npk
RMSD bond length	0.012
RMSD bond angle	1.278
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.720
High resolution limit [Å]	2.650	11.850	2.650
Rmerge	0.049	0.011	0.526
Number of reflections	7665	102	567
<I/σ(I)>	26.02	75.2	3.26
Completeness [%]	98.8	85	100
Redundancy	5.6		6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	289	GilaA.00438.a.A1 PW27083 at 24.97 mg/mL in 25 mM Hepes pH 7.0, 0.5 M NaCl, 5% glycerol, 2 mM DTT, 0.025% azide against CSHT C11 focus screen 0.1 M Hepes pH 7.0, 0.9 M Na phosphate, 0.9 M K phosphate with 25% ethylene glycol as cryo-protectant, crystal tracking ID 216300h9, VAPOR DIFFUSION, SITTING DROP, temperature 289K