4HIN

2.4A Resolution Structure of Bovine Cytochrome b5 (S71L)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-11-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	47.530, 92.709, 48.990
Unit cell angles	90.00, 113.11, 90.00

Refinement procedure

Resolution	46.350 - 2.400
R-factor	0.2104
Rwork	0.209
R-free	0.24510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ehb
RMSD bond length	0.009
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	SCALA (CCP4_3.3.16)
Phasing software	MOLREP
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.710	92.710	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge	0.128	0.040	0.660
Total number of observations		1592	7792
Number of reflections	15234
<I/σ(I)>	7.8759		2.3
Completeness [%]	99.2	97.12	99.5
Redundancy	3.41	3.2	3.51

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	20% (w/v) PEG 8000, 100 mM Tris, 200 mM MgCl2, 10 mM CuCl2, pH 8.5, vapor diffusion, temperature 293K