9M1Q

Crystal structure of N-terminal domain of hypothetical protein Rv1421 from Mycobacterium tuberculosis H37Rv

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	2022-10-08
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9790
Spacegroup name	C 1 2 1
Unit cell lengths	124.008, 58.547, 84.870
Unit cell angles	90.00, 133.12, 90.00

Refinement procedure

Resolution	28.440 - 1.700
R-factor	0.2307
Rwork	0.229
R-free	0.26490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.772
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.060	0.389
Number of reflections	47309	4756
<I/σ(I)>	22.5	3.6
Completeness [%]	96.4	96.6
Redundancy	5.2	3.5
CC(1/2)	0.996	0.473

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1 M sodium citrate pH 5.0, 6% (v/v) 2-propanol, 16% (w/v) PEG 400