8CU9

Crystal Structure of Bifunctional protein GlmU 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	2021-11-11
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 3
Unit cell lengths	139.150, 139.150, 139.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.200 - 2.650
R-factor	0.1715
Rwork	0.169
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oi6
RMSD bond length	0.007
RMSD bond angle	0.881
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.200	49.200	2.720
High resolution limit [Å]	2.650	11.850	2.650
Rmerge	0.048	0.025	0.637
Rmeas	0.053	0.028	0.707
Total number of observations	137618
Number of reflections	26243	309	1941
<I/σ(I)>	21.81	48.69	2.83
Completeness [%]	99.4	91.7	100
Redundancy	5.244	4.505	5.308
CC(1/2)	0.999	0.998	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	[[Target: KlpnC.00150.a.B1.PW38985] [crystallization: protein at 25.33 mg/mL was mixed 1:1 (0.2 uL protein and 0.2 uL precipitant) with an opt screen based on JCSG+ E1: 0.1 M sodium cacodylate, pH 6.5, 1.0 M tri-sodium citrate] [Barcode: 323500h2] [pin: hnx6-4] [cryo: 20% Ethylene glycol]