7E7R

Crystal structure of RSL mutant in complex with Ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-12-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	67.427, 81.959, 97.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.640 - 1.820
R-factor	0.2516
Rwork	0.250
R-free	0.28480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4csd
Data reduction software	autoPROC
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.640	62.640	1.920
High resolution limit [Å]	1.820	5.750	1.820
Rmerge	0.184	0.054	1.435
Rmeas	0.191	0.057	1.493
Rpim	0.052	0.017	0.409
Total number of observations	647333	19428	91767
Number of reflections	49086	1718	7039
<I/σ(I)>	10.8	25.9	2.7
Completeness [%]	99.9	99.8	99.8
Redundancy	13.2	11.3	13
CC(1/2)	0.999	0.998	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES	7.5	277	20 mM Tris-HCl, 100 mM of NaCl pH 7.5, Micro centrifuge tube sequentially put with RSL solution, pure b