7SZS

Crystal Structure of Probable GTP-binding protein EngB bound to GDP from Klebsiella pneumoniae subsp. pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-10-21
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	105.470, 94.070, 56.590
Unit cell angles	90.00, 108.60, 90.00

Refinement procedure

Resolution	47.040 - 1.500
R-factor	0.1646
Rwork	0.164
R-free	0.18210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pui
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.20rc3-4406)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.040	47.040	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.054	0.031	0.505
Rmeas	0.062	0.036	0.581
Total number of observations	347458
Number of reflections	83437	965	6142
<I/σ(I)>	14.87	35.15	2.82
Completeness [%]	99.8	98.2	99.8
Redundancy	4.164	3.993	4.125
CC(1/2)	0.999	0.998	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	KlpnC.00252.a.B1.PW38989 [Barcode: 321927d12, PuckID: nyh1-5, Cryo: Direct, BEAMLINE: APS21idf, Collected date: 07292021, Concentration: 20 mg/mL] 100 mM Bicine/Trizma base pH 8.5, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 12.5% (w/v) MPD, 0.02 M each of [1,6-hexandiol, 1-butanol, 1,2-propanediol, 2-propanol, 1,4-butanediol, 1,3-propanediol]