3MW8

Crystal structure of an UROPORPHYRINOGEN-III SYNTHASE (Sama_3255) from SHEWANELLA AMAZONENSIS SB2B at 1.65 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-11
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 1 21 1
Unit cell lengths	51.390, 50.073, 58.255
Unit cell angles	90.00, 90.04, 90.00

Refinement procedure

Resolution	38.525 - 1.650
R-factor	0.177
Rwork	0.175
R-free	0.20300
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.576
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.525	38.525	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.048	0.036	0.442
Number of reflections	35551	3550	3628
<I/σ(I)>	13.48	27.8	2.4
Completeness [%]	99.2	95.8	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1500M di-ammonium hydrogen phosphate, 33.0000% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K