9N8K

Glutarate L-2-hydroxylase Q184C, K270A mutant-5'-Mal-C2-AGCT DNA conjugate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-07
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	I 4 2 2
Unit cell lengths	96.193, 96.193, 184.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.660 - 1.770
R-factor	0.17476
Rwork	0.173
R-free	0.20508
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.840
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	Outer shell
Low resolution limit [Å]	42.660	1.810
High resolution limit [Å]	1.770	1.770
Rmerge	0.170	1.588
Rmeas	0.176	1.643
Rpim	0.046	0.421
Number of reflections	42265	2371
<I/σ(I)>	13.5	2.6
Completeness [%]	99.4	99.4
Redundancy	27.7	28.8
CC(1/2)	0.998	0.864

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