7C72

Structure of a mycobacterium tuberculosis puromycin-hydrolyzing peptidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	120
Detector technology	PIXEL
Collection date	2018-12-12
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	0.97853
Spacegroup name	P 63
Unit cell lengths	183.950, 183.950, 146.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.490 - 3.000
R-factor	0.178582720641
Rwork	0.177
R-free	0.21811
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3azo
RMSD bond length	0.008
RMSD bond angle	1.222
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.490	3.107
High resolution limit [Å]	3.000	3.000
Rmerge	0.241	3.358
Rmeas	0.247	3.448
Rpim	0.056	0.781
Number of reflections	56249	5581
<I/σ(I)>	7.97	0.86
Completeness [%]	99.9	100
Redundancy	19.5	19.5
CC(1/2)	0.996	0.297

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	287.15	0.1 M BIS-TRIS propane pH 7, 2.4 M DL-Malic acid pH 7.0 20 % (v/v) glycerol