2HF8

Crystal structure of HypB from Methanocaldococcus jannaschii in the triphosphate form, in complex with zinc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	43.120, 68.130, 155.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.920 - 2.100
R-factor	0.203
Rwork	0.201
R-free	0.24200
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.090
Data scaling software	XSCALE
Phasing software	SOLVE (2.06)
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.048	0.084
Number of reflections	51141
<I/σ(I)>	20.54	9.3
Completeness [%]	98.6	93.1
Redundancy	3.76	1.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	175 mM maleic acid disodium salt, 52.5 mM HCl, 14% PEG3350, VAPOR DIFFUSION, temperature 293K