9N60

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C6-AAATTT 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	2023-06-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920105
Spacegroup name	P 4 21 2
Unit cell lengths	123.218, 123.218, 127.629
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	127.629 - 2.470
Rwork	0.215
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.742
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	Inner shell	Outer shell
Low resolution limit [Å]	127.630	127.630	2.570
High resolution limit [Å]	2.470	8.910	2.470
Rmerge	0.382	0.055	4.952
Rmeas	0.396	0.057	5.132
Rpim	0.104	0.015	1.348
Number of reflections	35919	893	3996
<I/σ(I)>	10.1	45.1	0.9
Completeness [%]	100.0	99.9	100
Redundancy	27	23.8	27.7
CC(1/2)	0.998	0.999	0.366

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M MES monohydrate pH 6.5, 1.6 M Magnesium sulfate heptahydrate