6AIT

Crystal structure of E. coli BepA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	85.844, 104.674, 104.971
Unit cell angles	113.61, 105.84, 104.03

Refinement procedure

Resolution	48.595 - 2.598
R-factor	0.2076
Rwork	0.206
R-free	0.26330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c37 5xi8
RMSD bond length	0.004
RMSD bond angle	0.613
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.595	2.691
High resolution limit [Å]	2.598	2.598
Rmerge	0.104	1.218
Rmeas	0.122	1.434
Rpim	0.063	0.748
Number of reflections	89522	8738
<I/σ(I)>	8.88
Completeness [%]	98.2	94.9
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	2 M ammonium sulfate