5YSW

Crystal Structure Analysis of Rif16 in complex with R-L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-03
Detector	SIEMENS-NICOLET
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	35.082, 70.709, 80.975
Unit cell angles	90.00, 94.00, 90.00

Refinement procedure

Resolution	35.380 - 2.600
R-factor	0.2085
Rwork	0.205
R-free	0.27140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oqs
RMSD bond length	0.013
RMSD bond angle	1.704
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.550	5.490	2.550
Rmerge	0.110	0.058	0.555
Rmeas	0.120	0.064	0.609
Rpim	0.049	0.026	0.247
Total number of observations	74314
Number of reflections	12806	1338	1265
<I/σ(I)>	5.7
Completeness [%]	98.7	99.6	99.3
Redundancy	5.8	5.8	5.7
CC(1/2)		0.997	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	277	Magnesium chloride hexahydrate, PEG 4000