8VXL

Crystal Structure of the External Aldimine Complex of Pyridoxal-5'-Tetrazole and (S)-4-amino-5-phenoxypentanoate with the Bacillus subtilis GabR C-terminal Effector-binding and Oligomerization Domain

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12718
Spacegroup name	P 41
Unit cell lengths	118.319, 118.319, 75.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.440 - 2.240
R-factor	0.2145
Rwork	0.213
R-free	0.25560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.043
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.440	2.280
High resolution limit [Å]	2.240	2.240
Rmerge	0.149	1.068
Rmeas	0.158	1.197
Rpim	0.052	0.529
Number of reflections	49997	2397
<I/σ(I)>	11.1	1
Completeness [%]	99.7	98.38
Redundancy	8.8	5
CC(1/2)	0.997	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	3% PEG 6000, 100mM HEPES pH 7.0