8H2D

The hypothetical protein from Mycobacterium tuberculosis mutant - E47A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	60.741, 99.050, 89.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.860 - 2.900
R-factor	0.2211
Rwork	0.219
R-free	0.26120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8h0h
RMSD bond length	0.004
RMSD bond angle	0.710
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.070
High resolution limit [Å]	2.900	2.900
Number of reflections	6247	970
<I/σ(I)>	19.79
Completeness [%]	99.9
Redundancy	12.81
CC(1/2)	0.999	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	0.1 M Tris, pH 8.5, 0.2 M ammonium sulfate and 25% (w/v) PEG 3350