4HHW

Crystal structure of the Pseudomonas aeruginosa azurin, H124NO YOH122

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-08-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 2 21 21
Unit cell lengths	49.669, 65.637, 72.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.000
R-factor	0.22698
Rwork	0.224
R-free	0.28097
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.913
Data reduction software	autoXDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	35.000
High resolution limit [Å]	1.580
Number of reflections	39126
Completeness [%]	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293.15	26-34% PEG 4000, 100 mM Lithium Nitrate, 6.25 mM Copper Sulfate and 100 mM Imidazole, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K