1SF5

Structure of oxidized state of the P94A 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]	110
Detector technology	CCD
Collection date	2002-08-14
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9000
Spacegroup name	P 1 21 1
Unit cell lengths	28.396, 55.434, 27.095
Unit cell angles	90.00, 95.17, 90.00

Refinement procedure

Resolution	30.000 - 1.100
R-factor	0.127
Rwork	0.127
R-free	0.16600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PDB file 1AAC
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.120
High resolution limit [Å]	1.100	1.100
Number of reflections	32824
<I/σ(I)>	24.5	2.8
Completeness [%]	96.7	71.5
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5	293	3.6 M monobasic sodium phosphate, 0.4 M dibasic potassium phosphate, pH 5.0, EVAPORATION, temperature 293.0K