7X6M

Crystal structure of AtHPPD-Y191058 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	2020-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.06
Spacegroup name	C 1 2 1
Unit cell lengths	76.630, 83.768, 61.733
Unit cell angles	90.00, 100.34, 90.00

Refinement procedure

Resolution	29.725 - 1.815
R-factor	0.1855
Rwork	0.184
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cqs
RMSD bond length	0.007
RMSD bond angle	0.967
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.098
Number of reflections	31406	1493
<I/σ(I)>	9.8
Completeness [%]	94.8
Redundancy	2.7
CC(1/2)	0.974	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	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