5Y8B

Periplasmic heme-binding protein RhuT from Roseiflexus sp. RS-1 in apo form

Replaces:  5GJ2

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	2015-06-19
Detector	RAYONIX MX225-HS
Wavelength(s)	1.00
Spacegroup name	P 31 2 1
Unit cell lengths	71.039, 71.039, 78.206
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.010 - 2.400
R-factor	0.1831
Rwork	0.180
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gj3
RMSD bond length	0.010
RMSD bond angle	1.373
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.010	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.098	0.032	0.501
Rmeas	0.102	0.034	0.540
Rpim	0.028	0.009	0.193
Number of reflections	9202	521	450
<I/σ(I)>	8.7
Completeness [%]	99.3	99.8	94.5
Redundancy	12.6	12	7
CC(1/2)		0.999	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	9% PEG 400, 0.2 M MgCl2, 50 mM glycine