8HZA

Crystal structure of AtHPPD-YH20326 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	2020-10-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9786
Spacegroup name	C 1 2 1
Unit cell lengths	76.897, 84.004, 62.173
Unit cell angles	90.00, 100.27, 90.00

Refinement procedure

Resolution	44.431 - 1.690
R-factor	0.1811
Rwork	0.180
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.852
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.690	1.700
Number of reflections	43176	2590
<I/σ(I)>	11.88
Completeness [%]	96.2
Redundancy	2.1
CC(1/2)	0.998	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	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