6P8K

Escherichia coli Bacterioferritin Substituted with Zinc Protoporphyrin IX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 42 21 2
Unit cell lengths	207.852, 207.852, 142.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.960 - 1.700
R-factor	0.1916
Rwork	0.192
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y3q
RMSD bond length	0.010
RMSD bond angle	2.007
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.960	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.172	3.560
Rmeas	0.178	3.710
Rpim	0.048	1.039
Number of reflections	337873	48968
<I/σ(I)>	11.3	0.7
Completeness [%]	99.9	100
Redundancy	13.5	12.6
CC(1/2)	1.000	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	2.4 M sodium malonate, pH 6.0