4QLT

yCP in complex with tripeptidic epoxyketone inhibitor 2 (PR924)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-26
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	135.650, 298.660, 145.460
Unit cell angles	90.00, 112.83, 90.00

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.17761
Rwork	0.176
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ryp
RMSD bond length	0.004
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.086	0.502
Number of reflections	247440
<I/σ(I)>	10.3	2.6
Completeness [%]	94.7	96.7
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	20 mM MGAC2, 13% MPD, PH 6.8, 100 mM MES, VAPOR DIFFUSION, HANGING DROP, temperature 293K