7CQS

Complex structure of HPPD with Topramezone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	77.183, 83.903, 62.798
Unit cell angles	90.00, 100.77, 90.00

Refinement procedure

Resolution	29.903 - 1.998
R-factor	0.1826
Rwork	0.181
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jx9
RMSD bond length	0.006
RMSD bond angle	0.803
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]	1.998	2.000
Rmerge	0.061	0.154
Number of reflections	25640	1312
<I/σ(I)>	17.8
Completeness [%]	96.3
Redundancy	2.7
CC(1/2)	0.993	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Tris-HCl pH8.5, 0.1M Bicine pH8.5, 0.03 M NaF, 0.03 M NaBr, 0.03 M NaI, 25%(w/v) MPD, 25%(w/v) PEG1000, 25%(w/v) PEG3350