2R79

Crystal Structure of a Periplasmic Heme Binding Protein from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-23
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	P 63 2 2
Unit cell lengths	132.913, 132.913, 72.930
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.510 - 2.400
R-factor	0.193
Rwork	0.193
R-free	0.24700
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.100
Number of reflections	15023
<I/σ(I)>	24.4	4.7
Completeness [%]	97.4	96.5
Redundancy	8.2	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M sodium cacodylate, 0.25M sodium chloride, 1.8M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M sodium cacodylate, 0.25M sodium chloride, 1.8M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M sodium cacodylate, 0.25M sodium chloride, 1.8M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K