4MSM

Crystal structure of Schizosaccharomyces pombe AMSH-like protease sst2 E286A mutant bound to ubiquitin

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	2013-07-07
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	57.017, 95.322, 112.944
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.850 - 1.740
R-factor	0.19647
Rwork	0.195
R-free	0.22546
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k1r
RMSD bond length	0.020
RMSD bond angle	2.063
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.780
High resolution limit [Å]	1.740	1.740
Rmerge	0.116
Number of reflections	63013
<I/σ(I)>	26.3
Completeness [%]	100.0	100
Redundancy	5.8

Crystallization Conditions

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