9N7C

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C6-TTTT DNA conjugate at 2.02 Angstrom resolution

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	2023-06-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920105
Spacegroup name	P 4 21 2
Unit cell lengths	124.211, 124.211, 127.025
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.809 - 2.023
Rwork	0.212
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.580
Data reduction software	XDS (20220820)
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]	88.810	2.070
High resolution limit [Å]	2.020	2.020
Rmerge	0.220	3.593
Rmeas	0.230	3.960
Rpim	0.060	1.040
Number of reflections	65331	63726
<I/σ(I)>	9.4	0.8
Completeness [%]	100.0	100
Redundancy	16.5	14.1
CC(1/2)	1.000	0.360

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