9DRN

Crystal structure of Mycobacterium tuberculosis biotin protein ligase in complex with Bio-4

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-15
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	62.865, 69.748, 115.458
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.520 - 2.980
R-factor	0.1747
Rwork	0.170
R-free	0.27340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.191
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874_0000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.520	3.087
High resolution limit [Å]	2.980	2.980
Number of reflections	10913	1042
<I/σ(I)>	7.49
Completeness [%]	99.5
Redundancy	2
CC(1/2)	0.995	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% MPEG 2000, 50 mM trimethylamine N-oxide, and 100 mM Tris pH 8.5