9YWI

Crystal structure of a Glyceraldehyde-3-phosphate dehydrogenase from Bordetella pertussis (monoclinic P form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-30
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	81.467, 122.984, 150.567
Unit cell angles	90.00, 90.11, 90.00

Refinement procedure

Resolution	49.080 - 2.000
R-factor	0.171
Rwork	0.169
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.596
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5855: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.080	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.142	0.977
Rmeas	0.157	1.074
Rpim	0.065	0.442
Total number of observations	1144672	57934
Number of reflections	199685	9909
<I/σ(I)>	8.6	1.7
Completeness [%]	99.9
Redundancy	5.7	5.8
CC(1/2)	0.995	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Index H1: 100 mM Tris-HCl, pH 8.5, 200 mM magnesium chloride, 25% w/v PEG-3350. BopeA.00156.a.B2.PW39373 at 14.3 mg/mL. Adron Plate_4B_25-015 drop A8, Puck: PSL2312, Cryo: 80% crystallant + 20% PEG 200.