7X8E

Crystal structure of PfHPPD-Y13287 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	2020-09-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.06
Spacegroup name	C 1 2 1
Unit cell lengths	160.699, 161.203, 121.984
Unit cell angles	90.00, 90.02, 90.00

Refinement procedure

Resolution	38.154 - 2.749
R-factor	0.2
Rwork	0.196
R-free	0.27650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cjx
RMSD bond length	0.009
RMSD bond angle	1.041
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]	50.000	2.800
High resolution limit [Å]	2.749	2.750
Rmerge	0.108
Number of reflections	79289	3889
<I/σ(I)>	10.8
Completeness [%]	98.7	97.5
Redundancy	3.4
CC(1/2)	0.983	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M MES 6.5, 20% w/v PEG 6000