4O79

Crystal Structure of Ascorbate-bound Cytochrome b561, crystal soaked in 1 M L-ascorbate for 10 minutes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	73.193, 108.648, 111.389
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.585 - 2.003
R-factor	0.2023
Rwork	0.202
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o6y
RMSD bond length	0.008
RMSD bond angle	1.133
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	29506
Completeness [%]	97.8	87

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	30% PEG400, 400mM Li2SO4, 100 mM MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K