1HDQ

Crystal structure of bovine pancreatic carboxypeptidase A complexed with D-N-hydroxyaminocarbonyl phenylalanine at 2.3 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	297
Spacegroup name	P 1 21 1
Unit cell lengths	51.961, 60.465, 47.792
Unit cell angles	90.00, 97.59, 90.00

Refinement procedure

Resolution	100.000 - 2.300
R-factor	0.1388
Rwork	0.139
R-free	0.17440
Structure solution method	OTHER
RMSD bond length	0.006
RMSD bond angle	1.172 *
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.300	2.300 *
Rmerge	0.060	0.094 *
Number of reflections	13199
<I/σ(I)>	33
Completeness [%]	96.0	82.2 *
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7.5		pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	10 (mg/ml)
2	1	1	Tris-HCl	0.02 (M)	pH7.5
3	1	1		1.2 (M)
4	1	2		0.14 (M)	pH7.5