7LJX

Oxidized rat cytochrome c mutant (K53Q)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0782
Spacegroup name	P 21 21 2
Unit cell lengths	52.837, 96.767, 38.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.380 - 1.310
R-factor	0.14
Rwork	0.138
R-free	0.17000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c0z
RMSD bond length	0.016
RMSD bond angle	2.276
Data reduction software	AutoProcess
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.384	1.332
High resolution limit [Å]	1.309	1.309
Rmerge	0.120	0.821
Rmeas	0.128	0.887
Rpim	0.051	0.325
Number of reflections	48257	2078
<I/σ(I)>	12.2
Completeness [%]	98.9	86.8
Redundancy	11.1	8.6
CC(1/2)	0.994	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	JBS1D4: 30% PEG 2K MME, 0.1M Na MES pH 6.5, 0.1M Na Acetate