2HAG

Crystal structure of a putative dyp-type peroxidase protein (so_0740) from shewanella oneidensis at 2.75 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979291, 0.918370, 0.978940
Spacegroup name	P 43 21 2
Unit cell lengths	94.310, 94.310, 113.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.540 - 2.750
R-factor	0.193
Rwork	0.191
R-free	0.22900
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.134
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.540		2.850
High resolution limit [Å]	2.750	4.690	2.750
Rmerge	0.107	0.057	0.835
Number of reflections	13932
<I/σ(I)>	10.85	19.1	1.7
Completeness [%]	95.4	99.6	86.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7.5	277	5.0% iso-Propanol, 20.0% PEG-4000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K