7JLS

RV3666c bound to tripeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-27
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	54.050, 69.960, 65.390
Unit cell angles	90.00, 109.50, 90.00

Refinement procedure

Resolution	50.000 - 1.520
R-factor	0.1869
Rwork	0.185
R-free	0.22070
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.776
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL2Map
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.640	50.000	1.550
High resolution limit [Å]	1.520	4.130	1.520
Rmerge	0.070	0.047	0.796
Rmeas	0.080	0.054	0.938
Rpim	0.039	0.027	0.490
Number of reflections	70699	3528	3534
<I/σ(I)>	13.2
Completeness [%]	99.4	96.7	100
Redundancy	4	3.9	3.4
CC(1/2)		0.995	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.2M ammonium sulfate pH7.0, 18-23% PEG3350