3WC6

Carboxypeptidase B in complex with 2nd zinc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	86
Detector technology	IMAGE PLATE
Collection date	2010-01-09
Detector	RIGAKU RAXIS II
Wavelength(s)	1.541865
Spacegroup name	P 41 21 2
Unit cell lengths	79.050, 79.050, 100.719
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.650
R-factor	0.1887
Rwork	0.187
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wab
RMSD bond length	0.025
RMSD bond angle	1.973
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.710
High resolution limit [Å]	1.650	1.650
Number of reflections	36726
Completeness [%]	94.1	84.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	296	100mM sodium cacodylate (pH 5.3-6.8), 100mM zinc acetate, 5-15% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 296K