8Z30

Crystal structure of HOIP PUB domain in complex with tolfenamic acid 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	PIXEL
Collection date	2021-01-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	C 1 2 1
Unit cell lengths	94.039, 114.758, 66.186
Unit cell angles	90.00, 109.75, 90.00

Refinement procedure

Resolution	19.530 - 2.300
R-factor	0.1994
Rwork	0.196
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.452
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.530	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.064	0.430
Number of reflections	29296	2885
<I/σ(I)>	13.3
Completeness [%]	99.7
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	20 mM Tris, 150 mM NaCl, pH 7.5, 10% w/v PEG1000, 10% w/v PEG8000