2Z1D

Crystal structure of [NiFe] hydrogenase maturation protein, HypD from Thermococcus kodakaraensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-04
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	42.253, 118.384, 81.165
Unit cell angles	90.00, 100.89, 90.00

Refinement procedure

Resolution	41.490 - 2.070
Rwork	0.179
R-free	0.21700
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.070	2.070
Number of reflections	47481
<I/σ(I)>	20.5	5.3
Completeness [%]	99.9	99.8
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	80mM Tris-HCl, 160mM MgCl, 20% PEG4000, 20% ethyleneglycol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K