2V77

Crystal Structure of Human Carboxypeptidase A1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-07
Detector	ADSC CCD
Spacegroup name	P 43 21 2
Unit cell lengths	129.565, 129.565, 90.856
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.603
R-factor	0.1782
Rwork	0.178
R-free	0.19180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cpa
RMSD bond length	0.007
RMSD bond angle	1.383
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.680
High resolution limit [Å]	1.600	1.600
Rmerge	0.050
Number of reflections	101271
<I/σ(I)>	33.5
Completeness [%]	99.0	83.1
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		22% (W/V) PAY 5100, HEPES 0.1 M, MAGNESIUM CHLORIDE 0.02 M (PH 7.5)