2IIZ

Crystal structure of putative melanin biosynthesis protein TyrA with bound heme (NP_716371.1) from Shewanella Oneidensis at 2.30 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-31
Detector	ADSC QUANTUM 315
Spacegroup name	P 43 21 2
Unit cell lengths	94.837, 94.837, 116.666
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 2.300
R-factor	0.208
Rwork	0.205
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hag
RMSD bond length	0.013
RMSD bond angle	1.357
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.900	19.900	2.450
High resolution limit [Å]	2.300	5.950	2.300
Rmerge	0.142	0.032	0.552
Number of reflections	24210
<I/σ(I)>	11.72	35.3	3
Completeness [%]	99.7	96.3	100
Redundancy	6.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	287	0.1M Tris, 5% isopropyl alcohol, 20% (w/v) polyethylene glycol 4000, additive - 1mM hemin, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K