9VEP

Crystal structure of Klebsiella pneumoniae SuhB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2025-05-30
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.97893
Spacegroup name	P 1 21 1
Unit cell lengths	46.200, 88.281, 66.097
Unit cell angles	90.00, 97.73, 90.00

Refinement procedure

Resolution	40.640 - 1.700
R-factor	0.1481
Rwork	0.146
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ib7
RMSD bond length	0.006
RMSD bond angle	0.913
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (9.0.009)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.780	1.790
High resolution limit [Å]	1.700	1.700
Number of reflections	57326	8282
<I/σ(I)>	21.6	5.7
Completeness [%]	99.2	98.6
Redundancy	5.9	5.9
CC(1/2)	0.999	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 3350, Sodium formate