6IUX

Crystal structure of a hydrolase protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	45.680, 52.919, 141.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.007 - 1.195
R-factor	0.1597
Rwork	0.159
R-free	0.18280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.959
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.000	1.260
High resolution limit [Å]	1.195	1.200
Number of reflections	160794
<I/σ(I)>	24.2
Completeness [%]	77.6
Redundancy	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M ammonium chloride pH 6.3, 20% PEG-3350