5JC6

Carboxypeptidase B with 2-nd zinc and acetate ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8
Spacegroup name	P 41 21 2
Unit cell lengths	79.580, 79.580, 100.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.650 - 1.400
R-factor	0.1732
Rwork	0.172
R-free	0.19783
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z65
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.125	0.340
Number of reflections	63991
<I/σ(I)>	3.8386	2.15
Completeness [%]	99.8	99.37
Redundancy	12.04	5.03

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		293	PEG 8000, Na-cacodylate, ZnAc2