5GTA

3D Crystal Structure of LsrB Bound to Furanosyl diester (R)-THMF, from Salmonella typhi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-03-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	41.582, 61.754, 115.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.134 - 2.998
R-factor	0.1989
Rwork	0.196
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tjy
RMSD bond length	0.002
RMSD bond angle	0.552
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.880	3.050
High resolution limit [Å]	2.998	3.000
Number of reflections	6389
<I/σ(I)>	2.16	2.15
Completeness [%]	99.0	98.2
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG 3350