2Z1F

Crystal structure of HypE from Thermococcus kodakaraensis (inward form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	88.118, 45.730, 75.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.520 - 1.700
Rwork	0.173
R-free	0.20300
Structure solution method	MIRAS
RMSD bond length	0.011
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	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	34118
<I/σ(I)>	34	5.8
Completeness [%]	99.8	99.7
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1M acetic acid, 22%(w/v) MPD, 200mM NaCl, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K