2GBA

Reduced Cu(I) form at pH 4 of P52G 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	2002-04-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.90000
Spacegroup name	P 1 21 1
Unit cell lengths	28.450, 56.132, 27.003
Unit cell angles	90.00, 96.98, 90.00

Refinement procedure

Resolution	20.000 - 0.920
R-factor	0.1076
R-free	0.14750
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.016
RMSD bond angle	0.032
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	0.950
High resolution limit [Å]	0.920	0.920
Rmerge	0.037	0.214
Number of reflections	40193
<I/σ(I)>	32.6
Completeness [%]	68.5	50.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.3	293	3.0 M sodium phosphate 90:10 monobasic:dibasic covered drop in mineral oil, pH 4.3, EVAPORATION, temperature 293K