1SF3

Structure of the reduced form 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	28.412, 55.557, 27.122
Unit cell angles	90.00, 95.98, 90.00

Refinement procedure

Resolution	30.000 - 1.050
R-factor	0.117
Rwork	0.117
R-free	0.14700
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]	40.000	1.070
High resolution limit [Å]	1.050	1.050
Number of reflections	35890
<I/σ(I)>	33	3.6
Completeness [%]	91.7	52.5
Redundancy	4.3

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