1WB0

specificity and affinity of natural product cyclopentapeptide inhibitor Argifin against human chitinase

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	2004-09-12
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	48.286, 53.725, 134.645
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.950 - 1.650
R-factor	0.178
Rwork	0.178
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1guv
RMSD bond length	0.010
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.040	0.220
Number of reflections	40166
<I/σ(I)>	16.2	7.7
Completeness [%]	93.8	83.4
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1