7X67

Crystal structure of AtHPPD-Y18406 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	293
Detector technology	CCD
Collection date	2020-11-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.988
Spacegroup name	C 1 2 1
Unit cell lengths	76.617, 84.277, 61.437
Unit cell angles	90.00, 99.72, 90.00

Refinement procedure

Resolution	28.179 - 1.996
R-factor	0.197
Rwork	0.195
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cqs
RMSD bond length	0.009
RMSD bond angle	0.882
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	2.030
High resolution limit [Å]	1.996	2.000
Rmerge	0.061	0.210
Number of reflections	24170	1201
<I/σ(I)>	20.9
Completeness [%]	92.9
Redundancy	4.3
CC(1/2)	0.994	0.986

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