9N8C

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C2-GTAC DNA conjugate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920194
Spacegroup name	I 4 2 2
Unit cell lengths	96.699, 96.699, 184.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.500 - 1.610
R-factor	0.17473
Rwork	0.173
R-free	0.20029
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.588
Data reduction software	XDS (20241002)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.500	1.640
High resolution limit [Å]	1.610	1.610
Rmerge	0.134	3.260
Rmeas	0.139	3.357
Rpim	0.037	0.891
Number of reflections	56851	2793
<I/σ(I)>	18.5
Completeness [%]	100.0	100
Redundancy	27.2	27.9
CC(1/2)	1.000	0.337

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	10 % v/v Glycerol, 0.05 M MES pH 5.5, 1.5 M Ammonium sulfate