5YSM

Crystal Structure Analysis of Rif16

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	ADSC QUANTUM 315
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	35.105, 70.335, 81.019
Unit cell angles	90.00, 94.43, 90.00

Refinement procedure

Resolution	40.420 - 1.900
R-factor	0.1857
Rwork	0.183
R-free	0.23390
RMSD bond length	0.019
RMSD bond angle	1.950
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	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.067	0.044	0.475
Rmeas	0.073	0.048	0.519
Rpim	0.028	0.019	0.206
Total number of observations	213187
Number of reflections	33798	1732	1635
<I/σ(I)>	9
Completeness [%]	94.1	93.3	90.6
Redundancy	6.3	6.1	6
CC(1/2)		0.996	0.895

Crystallization Conditions

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