30XK

Seryl-tRNA synthetase in complex with a fragment-sized inhibitor (3-cyclopropyl benzoic acid)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-08-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9406
Spacegroup name	P 31 2 1
Unit cell lengths	91.196, 91.196, 127.059
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.500 - 1.470
R-factor	0.1727
Rwork	0.171
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.760
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.500	1.493
High resolution limit [Å]	1.468	1.468
Rmerge	0.081
Number of reflections	104619	5080
<I/σ(I)>	0
Completeness [%]	99.9	100
Redundancy	20.7
CC(1/2)		0.359

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	HEPES pH 7.5 0.1 M, PEG Smear Medium 25% (w/v), Glycerol 20% (w/v)