5GJ3

Periplasmic heme-binding protein RhuT from Roseiflexus sp. RS-1 in two-heme bound form (holo-2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-15
Detector	RAYONIX MX225-HS
Wavelength(s)	1.00
Spacegroup name	C 2 2 21
Unit cell lengths	67.326, 86.338, 118.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.210 - 2.000
R-factor	0.1892
Rwork	0.187
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3md9
RMSD bond length	0.016
RMSD bond angle	1.831
Data scaling software	HKL-2000
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.114	0.050	0.544
Number of reflections	23911
<I/σ(I)>	8.1
Completeness [%]	99.8	99.8	97.8
Redundancy	7.9	7.6	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	5% PEG 8000, 0.1 M zinc acetate, and 50 mM MES