6U78

Rv3722c in complex with glutamic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	120
Detector technology	PIXEL
Collection date	2018-08-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	87.784, 173.691, 173.515
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.330 - 2.600
R-factor	0.1941
Rwork	0.193
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c6u
RMSD bond length	0.002
RMSD bond angle	0.557
Data reduction software	PROTEUM
Data scaling software	PROTEUM
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.330	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.148	0.564
Number of reflections	82156	8067
<I/σ(I)>	9.4	3.2
Completeness [%]	99.8	99.36
Redundancy	7.5	6.6
CC(1/2)	0.995	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	100 mM sodium acetate, pH 4.5, 200 mM lithium sulfate, 50% PEG400