8WJZ

Crystal structure of AtHPPD-F419Y+Y13161 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-05-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	76.944, 84.096, 61.908
Unit cell angles	90.00, 100.73, 90.00

Refinement procedure

Resolution	38.703 - 1.606
R-factor	0.1869
Rwork	0.186
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.703	1.700
High resolution limit [Å]	1.606	1.610
Number of reflections	50311	15756
<I/σ(I)>	3.16
Completeness [%]	99.6
Redundancy	3.44
CC(1/2)	0.915	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.1M Tris/Bicine pH 8.5, 15% (v/v) MPD, 15% (w/v) PEG 1000, 15% (w/v) PEG 3350, 0.03M NaBr, 0.03M NaF, 0.03M NaI