9JBD

Crystal Structure of the MoaE-like domain within Rv3323c from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-18
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97933
Spacegroup name	P 65 2 2
Unit cell lengths	98.015, 98.015, 102.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.490 - 2.400
R-factor	0.2223
Rwork	0.217
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.952
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.069	0.042	0.943
Rmeas	0.071	0.043	0.970
Rpim	0.016	0.011	0.224
Total number of observations	223537
Number of reflections	11920	694	574
<I/σ(I)>	8.7
Completeness [%]	99.9	99.3	100
Redundancy	18.8	16.4	18.3
CC(1/2)	0.996	0.999	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291.5	18% PEG 400, 0.04M Li2SO4, 0.1M MES pH 6.5