6JX9

Structure of Y17107 complexed HPPD

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	2019-03-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	76.939, 84.367, 62.115
Unit cell angles	90.00, 100.21, 90.00

Refinement procedure

Resolution	28.489 - 1.800
R-factor	0.1952
Rwork	0.194
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ywg
RMSD bond length	0.007
RMSD bond angle	0.845
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.074	0.495
Rpim		0.263
Number of reflections	33841	1759
<I/σ(I)>	16
Completeness [%]	93.5	96.3
Redundancy	3.8	3.7
CC(1/2)	0.996	0.909

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