5B57

Inward-facing conformation of ABC heme importer BhuUV from Burkholderia cenocepacia

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	2014-07-21
Detector	RAYONIX MX-225
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	110.824, 118.283, 142.747
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.539 - 2.800
R-factor	0.215
Rwork	0.212
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	BhuUV-T
RMSD bond length	0.011
RMSD bond angle	1.290
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.10.1-2155_1692: ???)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.109	0.021	0.878
Rmeas	0.117	0.023	0.951
Rpim	0.041	0.008	0.354
Total number of observations	355680
Number of reflections	46529
<I/σ(I)>	7
Completeness [%]	99.1	99.5	92.5
Redundancy	7.6	7.6	5.9
CC(1/2)		1.000	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9.5	277	30% PEG 400, 0.1M CAPSO, 0.1M NaCl, 0.1M Li2SO4