8V4V

Nan Regulatory Protein Full-length from Streptococcus pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	C 2 2 2
Unit cell lengths	116.873, 223.646, 52.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.700 - 2.950
R-factor	0.2539
Rwork	0.252
R-free	0.30130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8tx9
RMSD bond length	0.005
RMSD bond angle	0.673
Data reduction software	XDS (20161205)
Data scaling software	Aimless (8.0.013)
Phasing software	MOLREP (8.0.012)
Refinement software	REFMAC (8.0.013)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	3.056
High resolution limit [Å]	2.950	2.950
Rmerge	0.246
Number of reflections	15063	1478
<I/σ(I)>	7.49	0.9
Completeness [%]	99.8	99.93
Redundancy	8.9	8.9
CC(1/2)	0.994	0.355

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293.15	15.5 mg/mL protein + 0.1 M phosphate/citrate, pH 4.2, 40% v/v PEG300 + 10 mM ligand (ManNac-6-P), cryoprotectant: 50:50 ethylene glycol/glycerol