4A94

Structure of the carboxypeptidase inhibitor from Nerita versicolor in complex with human CPA4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	69.220, 71.980, 79.840
Unit cell angles	90.00, 108.84, 90.00

Refinement procedure

Resolution	46.093 - 1.700
R-factor	0.2068
Rwork	0.205
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.033
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.330	1.900
High resolution limit [Å]	1.700	1.700
Rmerge	0.060	0.260
Number of reflections	79658
<I/σ(I)>	16.4	4.8
Completeness [%]	99.8	98.5
Redundancy	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1