8R3O

Transketolase from Haemophilus influenzae in complex with thiamin pyrophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-09
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9676
Spacegroup name	P 1 21 1
Unit cell lengths	110.250, 90.670, 155.250
Unit cell angles	90.00, 100.95, 90.00

Refinement procedure

Resolution	34.820 - 2.100
R-factor	0.1512
Rwork	0.149
R-free	0.19080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.802
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.820	2.900
High resolution limit [Å]	2.100	2.100
Number of reflections	168690	104558
<I/σ(I)>	12.68
Completeness [%]	96.3
Redundancy	3.34
CC(1/2)	0.996	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Magnesium acetate, 0.1 M Sodium citrate pH 5.6, 8 % (w/v), PEG 10000