6G3N

Mycobacterial hydrolase complex 14.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-02
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 2
Unit cell lengths	85.585, 158.835, 88.274
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.319 - 2.320
R-factor	0.1553
Rwork	0.153
R-free	0.20340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ohz
RMSD bond length	0.009
RMSD bond angle	0.975
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.600	2.400
High resolution limit [Å]	2.320	2.320
Rmerge	0.115	1.492
Rmeas	0.119	1.568
Rpim	0.032	0.471
Number of reflections	52533
<I/σ(I)>	15.4	1.6
Completeness [%]	99.3	93.5
Redundancy	13.6	10.4
CC(1/2)	0.999	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Tris-Bicine pH 8.5, amino acids, PEG 4000, glycerol