2CCW

Crystal structure of Azurin II at atomic resolution (1.13 angstrom)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX10.1
Synchrotron site	SRS
Beamline	PX10.1
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 41 2 2
Unit cell lengths	51.754, 51.754, 99.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.800 - 1.130
R-factor	0.128
R-free	0.14600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dz0
RMSD bond length	0.016
RMSD bond angle	0.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.800	1.170
High resolution limit [Å]	1.130	1.130
Rmerge	0.070	0.620
Number of reflections	48485
<I/σ(I)>	19.8	2.2
Completeness [%]	94.4	83.6
Redundancy	8	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.50