9WQY

aminoacyl-tRNA-dependent peptide synthase, Sba18, complexed with streptothrisamine

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-19
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.07000
Spacegroup name	P 21 21 21
Unit cell lengths	54.245, 62.373, 88.442
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.240 - 2.000
R-factor	0.1902
Rwork	0.188
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9wqw
RMSD bond length	0.007
RMSD bond angle	0.877
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.240	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.386	4.458
Number of reflections	20997	1501
<I/σ(I)>	7.2	0.8
Completeness [%]	99.9	98.6
Redundancy	13.5	13.7
CC(1/2)	0.992	0.329

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	297	15% (v/v) ethanol, 0.1 M imidazole, pH 8.0, 0.2 M MgCl2