9N6S

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C6-AGCT DNA conjugate at 2.47 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	2023-06-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920105
Spacegroup name	P 4 21 2
Unit cell lengths	123.480, 123.480, 127.088
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.326 - 2.470
Rwork	0.215
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.859
Data reduction software	DIALS (3.17.0)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.330	37.330	2.570
High resolution limit [Å]	2.470	8.910	2.470
Rmerge	0.861	0.152	7.643
Rmeas	0.893	0.157	7.923
Rpim	0.234	0.040	2.082
Number of reflections	35897	871	4007
<I/σ(I)>	5	13.1	1.1
Completeness [%]	100.0	98.7	100
Redundancy	27.2	24.9	27.7
CC(1/2)	0.991	0.996	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.05 M Lithium sulfate, 0.05 M HEPES pH 6.5, 1.4 M Ammonium sulfate