8QAO

Crystal structure of TP901-1 CI-NTD89 repressor N-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-21
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8731
Spacegroup name	P 43 21 2
Unit cell lengths	48.369, 48.369, 86.951
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.270 - 1.290
R-factor	0.15111
Rwork	0.150
R-free	0.18288
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.026
RMSD bond angle	2.296
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.480	1.370
High resolution limit [Å]	1.290	1.290
Rmerge	0.246
Rpim	0.051
Number of reflections	46858	5596
<I/σ(I)>	18.5
Completeness [%]	94.0
Redundancy	19.04
CC(1/2)	0.990	0.217

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	28% w/v PEG 4000, 0.17 M ammonium sulphate and 15% glycerol