4MSJ

Crystal structure of S. pombe AMSH-like protease SST2 catalytic domain from P212121 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-10-07
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	54.799, 58.066, 187.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.310 - 1.800
R-factor	0.2033
Rwork	0.202
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB CODE 4JXE
RMSD bond length	0.008
RMSD bond angle	1.146
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.087	0.628
Number of reflections	55256
<I/σ(I)>	17.8	2.9
Completeness [%]	97.9	96.6
Redundancy	6	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.2 M ammonium phosphate dibasic, 20% w/v PEG 3350, 1.0 M glycine, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K