8P3C

Full length structure of BpMIP with bound inhibitor NJS227.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.967
Spacegroup name	P 31 2 1
Unit cell lengths	77.608, 77.608, 52.995
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.210 - 2.020
R-factor	0.19582
Rwork	0.194
R-free	0.23525
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.487
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.210	2.092
High resolution limit [Å]	2.020	2.020
Number of reflections	12368	1234
<I/σ(I)>	9.5
Completeness [%]	99.8
Redundancy	8
CC(1/2)	0.900	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M BisTris pH 5.0 0.8 M Ammonium sulfate PEG3350 14 %