4RUH

Crystal structure of Human Carnosinase-2 (CN2) in complex with inhibitor, Bestatin at 2.25 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-20
Detector	MARRESEARCH
Wavelength(s)	0.97755
Spacegroup name	P 21 21 21
Unit cell lengths	87.090, 100.070, 105.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.600 - 2.250
R-factor	0.222
Rwork	0.219
R-free	0.28230
RMSD bond length	0.011
RMSD bond angle	1.163
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.600	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.097	0.192
<I/σ(I)>	10.2	6.5
Completeness [%]	23.0
Redundancy	4.3	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	8	293	0.2M Hepes. 25% PPEG 4000, 100mm NaCl, pH 8.0, LIQUID DIFFUSION, temperature 293K