6I6Z

Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH

Replaces:  4UEF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	173
Detector technology	PIXEL
Collection date	2013-06-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	46.121, 84.109, 158.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.440 - 1.720
R-factor	0.1595
Rwork	0.158
R-free	0.18330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kgq
RMSD bond length	0.007
RMSD bond angle	1.145
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.451	1.745
High resolution limit [Å]	1.720	1.720
Rmerge	0.099	0.429
Number of reflections	66309
<I/σ(I)>	1.33
Completeness [%]	99.9
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	283	1:1 (v:v) of hCPA1/8 complex at 16.1 mg/mL and a reservoir solution of 20% w/v PEG3350, 0.2 M MgCl 2 , 0.1 M HEPES, pH 6.0.