7TMV

Crystal structure of a Putative structural protein from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9840
Spacegroup name	P 21 21 2
Unit cell lengths	62.227, 104.652, 45.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.330 - 2.300
R-factor	0.2275
Rwork	0.226
R-free	0.26690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gs4
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.230	62.230	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.122	0.043	1.112
Total number of observations	88737	1589	9006
Number of reflections	13864	281	1327
<I/σ(I)>	9.8	26.6	1.9
Completeness [%]	99.7	96.8	99.9
Redundancy	6.4	5.7	6.8
CC(1/2)	0.998	0.999	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Morpheus F1: 12% (v/v) PEG 500 MME, 6% (w/v) PEG 20,000, 0.05 M imidazole, 0.05 M MES, 0.02 M each of D-glucose, D-mannose, D-galactose, L-fucose, D-xylose and N-acetyl-D-glucosamine, KlpnC.20486.a.B1.PW39078 at 5 mg/mL, Tray: plate 12355 well F1 drop 1, Puck: PSL1206, Cryo: direct