35WA

Apo structure of pyr5 from Streptomyces pyridomyceticus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.96802
Spacegroup name	P 1 21 1
Unit cell lengths	41.101, 96.037, 94.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.020 - 2.290
R-factor	0.192
Rwork	0.189
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.844
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.020	2.330
High resolution limit [Å]	2.290	2.290
Rmerge	0.174	0.721
Rpim	0.122	0.503
Number of reflections	31468	1499
<I/σ(I)>	3.14	1.74
Completeness [%]	95.2
Redundancy	2.5
CC(1/2)	0.978	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M trisodium citrate-NaOH pH 3.5, 0.2 M LiCl, 29% PEG 6000 with 10 mg/mL Pyr5