5B58

Inward-facing conformation of ABC heme importer BhuUV in complex with periplasmic heme binding protein BhuT from Burkholderia cenocepacia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-01
Detector	RAYONIX MX225HE
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	69.016, 99.751, 253.496
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.612 - 3.210
R-factor	0.271
Rwork	0.269
R-free	0.30950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qi9
RMSD bond length	0.009
RMSD bond angle	1.082
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.260
High resolution limit [Å]	3.200	8.670	3.200
Rmerge	0.092	0.045	0.438
Rmeas	0.105	0.049	0.539
Rpim	0.048	0.020	0.307
Total number of observations	111437
Number of reflections	28840
<I/σ(I)>	7.1
Completeness [%]	96.9	97.2	92.6
Redundancy	3.9	5.9	2.5
CC(1/2)		0.997	0.081

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.6	293	15% PEG 2000, 0.1M HEPES