9SWU

Crystal structure of NcBBE14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-11
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 62 2 2
Unit cell lengths	174.020, 174.020, 180.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.390 - 2.800
R-factor	0.209
Rwork	0.208
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.627
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.390	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	174281	46374
<I/σ(I)>	2.38
Completeness [%]	99.9
Redundancy	18.2
CC(1/2)	0.895	0.051

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	0.1 M phosphate/citrate buffer (pH 4.2) and 36%(w/v) PEG400