8XTV

Crystal structure of AaHPPD-Y14150 complex

This is a non-PDB format compatible entry.

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	2021-10-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	59.397, 84.270, 78.422
Unit cell angles	90.00, 102.78, 90.00

Refinement procedure

Resolution	29.721 - 1.994
R-factor	0.1765
Rwork	0.175
R-free	0.20560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.789
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]	29.721	2.030
High resolution limit [Å]	1.994	1.994
Number of reflections	50801	3021
<I/σ(I)>	3.24
Completeness [%]	98.7
Redundancy	2.62
CC(1/2)	0.900	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	0.2 M NH4NO3,20% PEG 3350