6LVS

USP14 catalytic domain mutant C114S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	80
Detector technology	CCD
Collection date	2018-11-20
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9998
Spacegroup name	P 1 21 1
Unit cell lengths	82.506, 160.422, 90.311
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.490 - 2.730
R-factor	0.20093
Rwork	0.197
R-free	0.27677
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ayn
RMSD bond length	0.003
RMSD bond angle	1.285
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.830
High resolution limit [Å]	2.730	2.730
Rmerge	0.065
Number of reflections	62014	6191
<I/σ(I)>	17.4
Completeness [%]	99.7
Redundancy	3
CC(1/2)		0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	0.2M HcooNa, 0.1M BICINE, 20% PEGmme 5000