8G22

Crystal Structure of the dTDP-4-dehydrorhamnose Reductase from Streptococcus pneumoniae.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.77482
Spacegroup name	H 3
Unit cell lengths	120.178, 120.178, 48.075
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.720 - 1.000
R-factor	0.12632
Rwork	0.125
R-free	0.14319
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.146
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.020
High resolution limit [Å]	1.000	1.000
Rmerge	0.070	1.207
Rmeas	0.074
Rpim	0.025	0.456
Number of reflections	138569	6926
<I/σ(I)>	28	1.9
Completeness [%]	99.1	98.3
Redundancy	8	7.7
CC(1/2)	0.997	0.502

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	292	Protein: 3.3 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3; Screen: PEG's II (H1), 0.01M tri-Sodium citrate, 33% (w/v) PEG6000;