3M0B

Ru-Porphyrin Protein Scaffolds for Sensing O2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 61 2 2
Unit cell lengths	61.183, 61.183, 245.116
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.353 - 2.000
R-factor	0.2065
Rwork	0.204
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u55
RMSD bond length	0.013
RMSD bond angle	1.002
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	19396
<I/σ(I)>	217.25	10.1
Completeness [%]	99.0	96
Redundancy	19.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	24% PEG 3350, 0.1-0.2 M Lithium acetate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K