5GIZ

Periplasmic heme-binding protein BhuT in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-26
Detector	RAYONIX MX-225
Wavelength(s)	1.00
Spacegroup name	P 2 2 21
Unit cell lengths	45.983, 46.443, 222.292
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.450 - 1.500
R-factor	0.1757
Rwork	0.174
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5GJ1
RMSD bond length	0.014
RMSD bond angle	1.607
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.062	0.026	0.613
Total number of observations	432781
Number of reflections	77435
<I/σ(I)>	10.2
Completeness [%]	99.7	99.6	98.6
Redundancy	5.6	5.6	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277	28% PEG 3350, 0.1 M TrisHCl, 0.2 M NaSO4