9N2U

Glutarate L-2-hydroxylase N187C 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	2023-09-23
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.87313
Spacegroup name	P 4 21 2
Unit cell lengths	124.083, 124.083, 126.932
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	126.930 - 2.060
Rwork	0.200
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.573
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]	126.930	126.930	2.110
High resolution limit [Å]	2.060	9.210	2.060
Rmerge	0.361	0.079	2.992
Rmeas	0.373	0.082	3.095
Rpim	0.096	0.021	0.789
Number of reflections	61788	827	4522
<I/σ(I)>	8	25.5	1.6
Completeness [%]	100.0	100	100
Redundancy	28.5	23.9	29.7
CC(1/2)	0.997	0.999	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	0.05 M Bis-Tris pH 7, 1.5 M Lithium sulfate