9DRK

Crystal structure of Mycobacterium tuberculosis biotin protein ligase in complex with Bio-1

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	62.651, 68.705, 115.134
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.950 - 2.130
R-factor	0.1968
Rwork	0.193
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.070
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.950	2.206
High resolution limit [Å]	2.130	2.130
Number of reflections	28673	2784
<I/σ(I)>	12.23
Completeness [%]	94.0
Redundancy	2
CC(1/2)	0.999	0.756

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