7W78

Heme exporter HrtBA in complex with Mg-AMPPNP

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	2015-11-12
Detector	RAYONIX MX225HE
Wavelength(s)	1.00000
Spacegroup name	P 42 21 2
Unit cell lengths	168.981, 168.981, 94.665
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.406 - 2.884
R-factor	0.2232
Rwork	0.221
R-free	0.25080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6LLP
RMSD bond length	0.008
RMSD bond angle	0.896
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.930
High resolution limit [Å]	2.880	7.810	2.880
Rmerge	0.113	0.022
Rmeas	0.115	0.023
Rpim	0.029	0.004	0.566
Total number of observations	897604
Number of reflections	31561	1745	1540
<I/σ(I)>	5.5
Completeness [%]	100.0	99.5	99.9
Redundancy	28.4	26.7	18.3
CC(1/2)		1.000	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	22% PEG 400, 10 mM Mg acetate, 0.1 M MES pH 6.0