7BTC

Crystal structure of Rheb Y35N mutant bound to GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9778
Spacegroup name	P 21 21 21
Unit cell lengths	75.426, 78.656, 117.398
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.328 - 2.101
R-factor	0.1888
Rwork	0.187
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xtq
RMSD bond length	0.007
RMSD bond angle	0.982
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.108	0.066	0.572
Rmeas	0.113	0.069	0.602
Rpim	0.031	0.020	0.182
Total number of observations	524442
Number of reflections	41416	2269	1998
<I/σ(I)>	4.1
Completeness [%]	99.9	100	97.7
Redundancy	12.7	12.2	9.7
CC(1/2)		0.999	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	290	0.10% n-Octyl-beta-D-glucoside: 0.1 M Sodium citrate tribasic, pH 5.5: 22% PEG 3350