2HR5

PF1283- Rubrerythrin from Pyrococcus furiosus iron bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-12
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 42 21 2
Unit cell lengths	105.402, 105.402, 80.095
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.710 - 2.700
R-factor	0.18
Rwork	0.176
R-free	0.24700
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1nnq
RMSD bond length	0.029
RMSD bond angle	2.181
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.730	2.770
High resolution limit [Å]	2.700	2.700
Number of reflections	12220
<I/σ(I)>	12.8	26.1
Completeness [%]	100.0	100
Redundancy	13.9	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	291	20% (w/v) PEG-3000,0.1M Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K, pH 7.00