9N5W

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C6-GC DNA conjugate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-24
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.87313
Spacegroup name	P 4 21 2
Unit cell lengths	123.773, 123.773, 127.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	127.490 - 2.060
Rwork	0.198
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.586
Data reduction software	XDS (20230630)
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]	127.490	127.490	2.110
High resolution limit [Å]	2.060	9.210	2.060
Rmerge	0.211	0.051	3.136
Rmeas	0.219	0.053	3.246
Rpim	0.057	0.014	0.838
Number of reflections	61736	824	4493
<I/σ(I)>	13.2	46.5	2
Completeness [%]	100.0	99.9	100
Redundancy	28.2	23.6	29.3
CC(1/2)	0.999	1.000	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1 % w/v Polyethylene glycol monomethyl ether 2,000, 0.1 M HEPES pH 7.0, 1 M Succinic acid pH 7.0