6P1Y

Crystal structure of Mtb aspartate decarboxylase mutant M117I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	130
Detector technology	CCD
Collection date	2015-08-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	I 4 2 2
Unit cell lengths	73.011, 73.011, 109.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.510 - 2.330
R-factor	0.1758
Rwork	0.174
R-free	0.20380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c45
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.510	2.414
High resolution limit [Å]	2.330	2.330
Number of reflections	6635	636
<I/σ(I)>	18.88	3.75
Completeness [%]	99.6	96.95
Redundancy	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	290	Ammonium tartrate dibasic, PEG 3350