4EIF

Crystal structure of cytochrome c6C L50Q mutant from Synechococcus sp. PCC 7002

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-05
Detector	MAR CCD 165 mm
Wavelength(s)	0.8123
Spacegroup name	P 4 21 2
Unit cell lengths	56.380, 56.380, 50.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.180 - 1.040
R-factor	0.1197
Rwork	0.119
R-free	0.14490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eie
RMSD bond length	0.019
RMSD bond angle	1.855
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.180	1.100
High resolution limit [Å]	1.040	1.040
Rmerge	0.073	0.244
Number of reflections	39071	5898
<I/σ(I)>	22.25	7.8
Completeness [%]	99.2	98.7
Redundancy	10.4	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	Protein solution: 15 mg/ml cytochrome c6C in 0.1 M TRIS pH 7.5, 0.2 M NaCl and 1 mM PMSF; Precipitant solution: 2 M NaCl and 2 M NH4)2SO4., VAPOR DIFFUSION, HANGING DROP, temperature 292K