8DE5

Structure of glyceraldehyde-3-phosphate dehydrogenase from Paracoccidioides lutzii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRUS BEAMLINE MANACA
Synchrotron site	LNLS SIRUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97718
Spacegroup name	I 41 2 2
Unit cell lengths	118.713, 118.713, 158.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.940 - 2.020
R-factor	0.1665
Rwork	0.165
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7u4s
RMSD bond length	0.003
RMSD bond angle	0.567
Data reduction software	DIALS (2.2.11-gad03a188b-release)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.940	2.050
High resolution limit [Å]	2.020	2.020
Rmerge	0.606	3.767
Rmeas	0.611	3.840
Rpim	0.074	0.742
Number of reflections	37329	1814
<I/σ(I)>	10.4	1.1
Completeness [%]	100.0	100
Redundancy	56.6	26.6
CC(1/2)	0.998	0.372

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.3	291.15	0.2 M ammonium sulfate, 25.5% w/v PEG4000