8EP4

Structure of Bacple_01703

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	273.15
Detector technology	PIXEL
Collection date	2018-08-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 31
Unit cell lengths	85.330, 85.330, 112.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.860 - 1.940
R-factor	0.1577
Rwork	0.156
R-free	0.19250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3juu
RMSD bond length	0.007
RMSD bond angle	0.833
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	1.940	1.940
Number of reflections	68053	10371
<I/σ(I)>	10.76	2.35
Completeness [%]	100.0
Redundancy	10.2
CC(1/2)	0.990	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	16% Peg 8K, 0.1 M Hepes pH 7.5 and 0.2M Calcium acetate