3PLY

Structure of Oxidized P96G Mutant of Amicyanin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	1.14
Spacegroup name	P 32 2 1
Unit cell lengths	97.279, 97.279, 109.875
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.243
Rwork	0.239
R-free	0.29100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aac
RMSD bond length	0.008
RMSD bond angle	1.128
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.069	0.557
Number of reflections	30860
<I/σ(I)>	23.2	3.1
Completeness [%]	99.8
Redundancy	7.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	1.8M sodium/potassium phosphate pH 7.5, 40mM ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K