5WFI

X-ray structure of MHV PLP2 (Cys1716Ser) catalytic mutant in complex with free ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	199.515, 43.388, 110.159
Unit cell angles	90.00, 114.85, 90.00

Refinement procedure

Resolution	37.576 - 1.851
R-factor	0.1582
Rwork	0.157
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ypt
RMSD bond length	0.006
RMSD bond angle	0.738
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000
High resolution limit [Å]	1.850	1.850
Rmerge	0.052
Rmeas	0.061
Rpim	0.031
Number of reflections	73615
<I/σ(I)>	25.3
Completeness [%]	99.9
Redundancy	3.7
CC(1/2)	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	50 mM Tris, pH 7.5, 100 mM sodium chloride, 5 mM DTT, 0.2 M potassium formate, 20% PEG3350