8SKB

Crystal Structure of GDP-mannose 3,5 epimerase de Myrciaria dubia in complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.977180
Spacegroup name	P 1 21 1
Unit cell lengths	87.847, 80.042, 107.656
Unit cell angles	90.00, 95.25, 90.00

Refinement procedure

Resolution	107.200 - 2.580
R-factor	0.2116
Rwork	0.210
R-free	0.24510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.650
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	107.200	2.670
High resolution limit [Å]	2.580	2.580
Rmerge	0.276	1.343
Rmeas	0.302	1.476
Rpim	0.121	0.600
Total number of observations	294769	27532
Number of reflections	47036	4579
<I/σ(I)>	5.6	1.3
Completeness [%]	100.0
Redundancy	6.3	6
CC(1/2)	0.982	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2M Lithium sulfate, 0.1M Tris pH8.5, 30% w/v PEG 4000