2IDU

Structure of M98Q mutant of amicyanin, Cu(I)

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	2005-12-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.90000
Spacegroup name	P 1 21 1
Unit cell lengths	28.560, 55.402, 27.095
Unit cell angles	90.00, 96.13, 90.00

Refinement procedure

Resolution	20.000 - 0.950
R-factor	0.129
R-free	0.16160
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1aac
RMSD bond length	0.019
RMSD bond angle	0.039
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	0.970
High resolution limit [Å]	0.950	0.950
Rmerge	0.048	0.082
Number of reflections	47487
<I/σ(I)>	18.4	10
Completeness [%]	90.0	37.7
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	293	2.6 M phosphate, pH 5.5, EVAPORATION, temperature 293K