7O1L

Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-H462A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	100.753, 207.633, 134.132
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.640 - 2.380
R-factor	0.231
Rwork	0.229
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b3h
RMSD bond length	0.002
RMSD bond angle	0.450
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.640	2.420
High resolution limit [Å]	2.380	2.380
Number of reflections	56669	4537
<I/σ(I)>	7.8
Completeness [%]	99.9
Redundancy	8
CC(1/2)	0.996	0.777

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	295	2 M Ammonium Sulfate, 0.1M MOPS pH 6.5