6JCM

Crystal structure of ligand-free Rv0187.

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	2017-05-19
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	81.333, 94.262, 125.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.240 - 2.080
R-factor	0.2048
Rwork	0.203
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dul
RMSD bond length	0.010
RMSD bond angle	1.536
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.120
High resolution limit [Å]	2.080	5.640	2.080
Rmerge	0.243	0.084	1.749
Rmeas	0.263	0.091	1.904
Rpim	0.098	0.035	0.735
Number of reflections	57861	3148	2809
<I/σ(I)>	5.3
Completeness [%]	98.7	99	97.9
Redundancy	7	6.8	6.1
CC(1/2)		0.996	0.477

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Sodium acetate trihydrate