7VX2

Crystal Structure of the Y53F/N55A/I80F/L114V/I116V mutant of LEH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-10-30
Detector	RAYONIX MX-300
Wavelength(s)	1.0331
Spacegroup name	P 21 21 21
Unit cell lengths	74.154, 84.039, 93.371
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.801 - 2.485
R-factor	0.2336
Rwork	0.231
R-free	0.27690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nww
RMSD bond length	0.003
RMSD bond angle	0.550
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.574
High resolution limit [Å]	2.485	2.485
Number of reflections	20046	1838
<I/σ(I)>	9.59	3.35
Completeness [%]	94.6	89.47
Redundancy	6.9	6.7
CC(1/2)	0.994	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	Ammonium acetate, Polyethylene glycol 3350