8GST

Crystal structure of L-2,4-diketo-3-deoxyrhamnonate hydrolase from Sphingomonas sp. (pyruvate bound-form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	64.254, 66.228, 75.256
Unit cell angles	90.27, 91.43, 105.20

Refinement procedure

Resolution	48.988 - 1.710
R-factor	0.1814
Rwork	0.180
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8gsr
RMSD bond length	0.006
RMSD bond angle	0.860
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.990	48.990	1.740
High resolution limit [Å]	1.710	9.370	1.710
Rmerge	0.150	0.053	1.220
Rmeas	0.171	0.059	1.350
Rpim	0.080	0.025	0.573
Total number of observations	623308	4094	33385
Number of reflections	125104	778	6159
<I/σ(I)>	12.6	32.3	2.5
Completeness [%]	96.7	98.9	95.8
Redundancy	5	5.3	5.4
CC(1/2)	0.974	0.996	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	50% PEG 3350, 200 mM MgCl2, 100 mM Tris-HCl pH 8.5