7W79

Heme exporter HrtBA in complex with Mn-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	2015-10-23
Detector	RAYONIX MX225HE
Wavelength(s)	1.89236
Spacegroup name	P 42 21 2
Unit cell lengths	169.369, 169.369, 95.053
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.540 - 3.100
R-factor	0.2233
Rwork	0.220
R-free	0.26060
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.140
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	3.040
High resolution limit [Å]	2.990	8.110	2.990
Rmerge	0.124	0.035
Rmeas	0.128	0.037
Rpim	0.037	0.010	0.505
Total number of observations	399387
Number of reflections	28470	1573	1386
<I/σ(I)>	6.4
Completeness [%]	99.8	99.5	99.9
Redundancy	14	13.3	9.4
CC(1/2)		0.999	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	22% PEG 4000, 10 mM Na acetate, 10 mM MnCl2, 0.1 M MES pH 6.0