7VWM

Crystal Structure of the Y53F/N55A/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	2021-07-04
Detector	RAYONIX MX-300
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	71.510, 75.194, 104.736
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.980 - 1.980
R-factor	0.1649
Rwork	0.162
R-free	0.21210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nww
RMSD bond length	0.008
RMSD bond angle	0.959
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]	24.980	2.051
High resolution limit [Å]	1.980	1.980
Number of reflections	39840	3864
<I/σ(I)>	21.11
Completeness [%]	99.4
Redundancy	13.8
CC(1/2)	0.999	0.945

Crystallization Conditions

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