6JCL

Crystal structure of cofactor-bound Rv0187 from MTB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-08
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	75.300, 75.920, 329.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.232 - 1.644
R-factor	0.1821
Rwork	0.181
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jcm
Data reduction software	iMOSFLM
Data scaling software	SCALA (0.7.3)
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.470	1.670
High resolution limit [Å]	1.640	1.640
Rmerge	0.148	2.442
Rmeas	0.153	2.548
Rpim	0.040	0.706
Number of reflections	227245	10420
<I/σ(I)>	13.4
Completeness [%]	98.9	92.7
Redundancy	14.4	12.4
CC(1/2)	0.998	0.303

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.22mM Rv0187, 2mM SAH and 2.6mM MgCl2 0.1 M HEPES pH 7.3 70% v/v (+/-)-2-Methyl-2,4-pentanediol 0.1M Strontium chloride hexahydrate