4NNW

yCP in complex with Z-Leu-Leu-Leu-ketoaldehyde

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	2011-04-11
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	136.640, 301.290, 145.120
Unit cell angles	90.00, 113.71, 90.00

Refinement procedure

Resolution	15.000 - 2.600
R-factor	0.19596
Rwork	0.195
R-free	0.20844
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ryp
RMSD bond length	0.005
RMSD bond angle	1.199
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.077	0.477
Number of reflections	323084
<I/σ(I)>	0.119	2.9
Completeness [%]	98.4	88.1
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	20 mM MgAc2, 100 mM MES, 13% MPD , pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K