4KNW

The crystal structure of human HDHD4 IN COMPLEX WITH MAGNESIUM AND THE PHOSPHATE MIMETIC VANADATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-14
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	46.777, 102.560, 186.665
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.128 - 2.699
R-factor	0.2553
Rwork	0.254
R-free	0.29590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4knv
RMSD bond length	0.005
RMSD bond angle	0.716
Data reduction software	HKL-2000 ((DENZO))
Data scaling software	HKL-2000 ((SCALEPACK))
Phasing software	AMoRE
Refinement software	PHENIX (dev_1396)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.699	2.700
Rmerge	0.058	0.317
Number of reflections	25337
<I/σ(I)>	18.3	3.2
Completeness [%]	98.9	98.1
Redundancy	4.4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	500 mM postassium formate, 100 mM glycyl-glycine, pH 8.5, 20% (w/v) PEG 1500, 0.01%(w/v) N-dodecyl-b-D-maltoside, vapor diffusion, hanging drop, temperature 277K