9QWM

Crystal structure of catalytic domain of Rv1625c bound to inhibitory Darpin G11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999879
Spacegroup name	P 65 2 2
Unit cell lengths	65.518, 65.518, 437.403
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.600 - 2.700
R-factor	0.2253
Rwork	0.221
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.600
Data reduction software	iMOSFLM
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.600	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.046	1.409
Rmeas	0.047
Number of reflections	16456	2104
<I/σ(I)>	48.5	3.8
Completeness [%]	99.7	99.4
Redundancy	36.5	40
CC(1/2)	1.000	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	293.15	2 M Na-Formate, 0.1M Na-acetate pH 4.6