7EUT

Crystal structures of 2-oxoglutarate dependent dioxygenase (CTB9) in complex with N-oxalylglycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-23
Detector	Bruker PHOTON II
Wavelength(s)	1.542
Spacegroup name	C 1 2 1
Unit cell lengths	42.958, 100.945, 154.506
Unit cell angles	90.00, 93.72, 90.00

Refinement procedure

Resolution	23.623 - 2.497
R-factor	0.1927
Rwork	0.188
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eus
RMSD bond length	0.004
RMSD bond angle	0.637
Data reduction software	PROTEUM PLUS
Data scaling software	SAINT (V8.38A)
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.980	5.361	2.586
High resolution limit [Å]	2.497	4.263	2.497
Number of reflections	22882	2299	2211
<I/σ(I)>	5.531
Completeness [%]	99.7
Redundancy	7.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 mM Bis-Tris pH 6.5, 3% (v/v) glycerol, 25% (w/v) PEG 3350