3IEA

Structure of reduced M98L mutant of amicyanin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 63 2 2
Unit cell lengths	99.750, 99.750, 70.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.000 - 2.200
R-factor	0.186
Rwork	0.184
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ie9
RMSD bond length	0.008
RMSD bond angle	1.110
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.091	0.585
Number of reflections	10984
<I/σ(I)>	34.8	6.2
Completeness [%]	99.9	99.9
Redundancy	20.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	3.2M Ammonium sulfate, 90mM Tris PH 8.0, 10mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 291K