7PE0

Crystal structure of IpgC in complex with J52

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 32 2 1
Unit cell lengths	57.642, 57.642, 159.612
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.640 - 1.500
R-factor	0.1743
Rwork	0.174
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6scb
RMSD bond length	0.009
RMSD bond angle	1.233
Data reduction software	XDS (1.02)
Data scaling software	XDS (1.02)
Phasing software	PHASER (7.0.047)
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.640	1.580
High resolution limit [Å]	1.500	1.500
Number of reflections	50323	7975
<I/σ(I)>	19.78	2.2
Completeness [%]	99.9
Redundancy	10.7
CC(1/2)	1.000	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		299	30 % PEG 4000, 0.1 M TRIS pH 7.0, 0.3 M magnesium chloride