8E0H

Crystal structure of human Sar1aD104/D140A double mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-05-12
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9778
Spacegroup name	P 21 21 21
Unit cell lengths	44.534, 61.082, 133.945
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.131 - 2.000
R-factor	0.1857
Rwork	0.182
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8dzm
RMSD bond length	0.007
RMSD bond angle	0.872
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.099	0.361
Rmeas	0.104	0.537
Rpim	0.039	0.204
Number of reflections	25484	1262
<I/σ(I)>	32.3	5.3
Completeness [%]	99.9	99.9
Redundancy	7.2	6.7
CC(1/2)		0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	3.5M NaCl, 0.2M CaCl2 and 0.1M NaAc, pH4.5.