9HDL

Crystal structure of Pyrimidine Nucleoside 2'-Hydroxylase (PDN2'H) from Neurospora crassa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-07
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.8731
Spacegroup name	P 21 21 21
Unit cell lengths	58.105, 61.744, 84.325
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.820 - 1.600
R-factor	0.183
Rwork	0.181
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.809
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.320	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.155	2.063
Rmeas	0.162	2.164
Rpim	0.045	0.645
Total number of observations	538483	22291
Number of reflections	40809	2024
<I/σ(I)>	9.2	1.2
Completeness [%]	100.0
Redundancy	13.2	11
CC(1/2)	0.996	0.624

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	6.25 % (w/v) PEG 400, 6.25 % (w/v) PEG 500 MME, 6.25 % (w/v) PEG 600, 6.25 % (w/v) PEG 1000, 0.04 M CaCl2, 0.04 M sodium formate and 0.1 M Tris-HCl at pH 8.0