6LGK

Crystal structure of an oxido-reductase with mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	95
Detector technology	CCD
Collection date	2019-03-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 2 21 21
Unit cell lengths	75.360, 137.170, 141.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.512 - 2.000
R-factor	0.1465
Rwork	0.146
R-free	0.17170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wnc
RMSD bond length	0.009
RMSD bond angle	0.997
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	2.000	2.000
Rmerge	0.131
Number of reflections	99646	9845
<I/σ(I)>	14.4
Completeness [%]	99.9
Redundancy	12
CC(1/2)	0.996	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M Tris, pH8.5, 25% PEG 3350