7E7U

Crystal structure of RSL mutant in complex with sugar 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	2020-06-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	47.802, 79.470, 152.466
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.260 - 2.100
R-factor	0.1997
Rwork	0.197
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4csd
RMSD bond length	0.013
RMSD bond angle	1.977
Data reduction software	autoPROC
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.260	35.240	2.110
High resolution limit [Å]	2.010	6.340	2.010
Rmerge	0.136	0.046	1.316
Rmeas	0.142	0.049	1.371
Rpim	0.039	0.015	0.377
Total number of observations		15343	42350
Number of reflections	37046	1402	3325
<I/σ(I)>	14	35.3	2.2
Completeness [%]	92.9	99	58.5
Redundancy	13	10.9	12.7
CC(1/2)	0.999	0.999	0.861

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 buffer, and the ligand solution