9U7B

Crystal structure of Rv0042c

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-15
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 21
Unit cell lengths	54.128, 57.724, 81.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.110 - 1.700
R-factor	0.2125
Rwork	0.211
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.810
Data reduction software	XDS (Jun 30, 2023 (BUILT 20230630))
Data scaling software	pointless (1.12.16)
Phasing software	MrBUMP (2.2.6 (20 Sep 2021))
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.110	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.083	0.878
Rpim	0.044	0.463
Number of reflections	27958	1342
<I/σ(I)>	8.7	1.3
Completeness [%]	97.1	96.7
Redundancy	4	4
CC(1/2)	0.990	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	20% PEG 3350, 0.2 M Sodium chloride, 0.1M Bis-Tris pH 6.5