6UDF

Crystal structure of Enoyl-[acyl-carrier-protein] reductase [NADH] (InhA) from Mycobacterium kansasii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2019-08-23
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	I 41 2 2
Unit cell lengths	92.980, 92.980, 182.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.490 - 1.950
R-factor	0.1639
Rwork	0.162
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h7i
RMSD bond length	0.006
RMSD bond angle	0.821
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.045	0.016	0.544
Rmeas	0.047	0.017	0.588
Number of reflections	29565	395	2154
<I/σ(I)>	36.94	109.7	3.53
Completeness [%]	99.8	98.5	99.9
Redundancy	12.1	11.686	6.898
CC(1/2)	1.000	1.000	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	Optimization condition around Microlytic MCSG1 screen, condition F8: 3000mM sodium formate pH 7.0: MykaA.00472.a.B1.PS38576, at 27.1mg/ml: cryo: 20%EG: tray 311486 b1: puck ybk8-4.