2QDV

Structure of the Cu(II) form of the M51A mutant of amicyanin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.90000
Spacegroup name	P 1 21 1
Unit cell lengths	28.360, 55.390, 27.010
Unit cell angles	90.00, 94.82, 90.00

Refinement procedure

Resolution	30.000 - 0.890
R-factor	0.1109
Rwork	0.110
R-free	0.13480
Structure solution method	AB INITIO
RMSD bond length	0.016
RMSD bond angle	0.033
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	0.910
High resolution limit [Å]	0.890	0.890
Rmerge	0.040	0.183
Number of reflections	52978
<I/σ(I)>	27.2	7.7
Completeness [%]	83.3	41.2
Redundancy	3.9	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	293	2.5-3 M phosphate, 10 mg/ml amicyanin, pH 5.5, EVAPORATION, temperature 293K