8XUG

Crystal structure of AtHPPD-YH21831 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	2022-05-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	77.602, 84.076, 64.749
Unit cell angles	90.00, 100.43, 90.00

Refinement procedure

Resolution	45.396 - 1.893
R-factor	0.2209
Rwork	0.219
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.962
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]	45.396	2.010
High resolution limit [Å]	1.893	1.893
Number of reflections	31881	8889
<I/σ(I)>	8.04
Completeness [%]	97.8
Redundancy	3.12
CC(1/2)	0.988	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	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