1TU9

Crystal Structure of a Protein PA3967, a Structurally Highly Homologous to a Human Hemoglobin, from Pseudomonas aeruginosa PAO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 61 2 2
Unit cell lengths	52.557, 52.557, 182.628
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.640 - 1.200
R-factor	0.164
Rwork	0.161
R-free	0.19057
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.481
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.640	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.042	0.458
Number of reflections	45270
<I/σ(I)>	10.2	1.7
Completeness [%]	94.4	75.6
Redundancy	10.4	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG3350, sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP		298	PEG3350, sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP		298	PEG3350, sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K