6NRY

Crystal structure of human caspase-4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 21
Unit cell lengths	40.687, 163.383, 103.661
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.592 - 2.184
R-factor	0.199
Rwork	0.195
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e4c
RMSD bond length	0.009
RMSD bond angle	0.904
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.600	2.240
High resolution limit [Å]	2.180	2.180
Rmeas	0.056	0.752
Number of reflections	18369
<I/σ(I)>	20.4	2.4
Completeness [%]	99.3	91.8
Redundancy	8.1	8
CC(1/2)	0.999	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	25mM Bis-Tris, 20% PEG3350