9N33

Glutarate L-2-hydroxylase N187C mutant-5'-Mal-C6-AGCT 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	124.937, 124.937, 127.288
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	127.288 - 2.610
Rwork	0.196
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.739
Data reduction software	XDS (20230630)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	127.290	127.290	2.730
High resolution limit [Å]	2.610	9.040	2.610
Rmerge	0.373	0.072	3.455
Rmeas	0.386	0.074	3.572
Rpim	0.099	0.019	0.907
Number of reflections	31317	879	3757
<I/σ(I)>	9.2	30.1	1.6
Completeness [%]	100.0	100	100
Redundancy	28.2	24.6	29.6
CC(1/2)	0.997	0.999	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M Sodium chloride, 0.1 M Potassium chloride, 0.05 M HEPES pH 6.5, 1.9 M Lithium sulfate