9WVY

NDP-4-keto-6-deoxyglucose-3-dehydratase KsgR in complex with PMP and AKG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97861
Spacegroup name	I 21 3
Unit cell lengths	206.660, 206.660, 206.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.210 - 3.300
Rwork	0.245
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.517
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.360
High resolution limit [Å]	3.300	3.300
Rpim	0.109
Number of reflections	22116	1105
<I/σ(I)>	9
Completeness [%]	100.0
Redundancy	9.5	9.9
CC(1/2)		0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	Tris ph 8.0 Sodium chloride Tacsimate pH 7.0