5B53

Crystal structure of hydrogen sulfide-producing enzyme (Fn1055) from Fusobacterium nucleatum

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]	95
Detector technology	CCD
Collection date	2011-02-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	P 43 2 2
Unit cell lengths	58.793, 58.793, 205.053
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.640 - 2.910
R-factor	0.17502
Rwork	0.171
R-free	0.26555
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o58
RMSD bond length	0.018
RMSD bond angle	2.150
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.640	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.137	0.300
Number of reflections	8510
<I/σ(I)>	17.4	8.5
Completeness [%]	98.5	98.6
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	4% (w/v) PEG 8000, 0.1M Hepes pH 7.5