6J73

Crystal structure of IniA from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 31
Unit cell lengths	91.760, 91.760, 137.346
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.733 - 3.211
R-factor	0.2205
Rwork	0.219
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.127
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.260
High resolution limit [Å]	3.200	8.670	3.200
Rmerge	0.190	0.051	0.813
Rmeas	0.212	0.057	0.904
Rpim	0.092	0.025	0.394
Total number of observations	110494
Number of reflections	21132	1053	1074
<I/σ(I)>	3
Completeness [%]	99.9	99.9	100
Redundancy	5.2	5.1	5.3
CC(1/2)		0.996	0.572

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	AAA