6TCX

Papain bound to a natural cysteine protease inhibitor from Streptomyces mobaraensis

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97242
Spacegroup name	P 21 21 21
Unit cell lengths	42.644, 48.921, 101.547
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.112 - 1.650
Rwork	0.196
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9pap
RMSD bond length	0.003
RMSD bond angle	1.175
Data reduction software	autoXDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.650	1.680
High resolution limit [Å]	1.650	1.650
Rpim	0.026	0.252
Number of reflections	26295	1260
<I/σ(I)>	15.1
Completeness [%]	99.8
Redundancy	13.1
CC(1/2)	0.999	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100 mM HEPES pH 7.5 and 80% 2-Methyl-2,4-pentanediol (MPD)