5ZEQ

Carboxypeptidase B in complex with DD28

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	78.860, 78.860, 100.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.710 - 1.900
R-factor	0.1547
Rwork	0.152
R-free	0.20350
RMSD bond length	0.020
RMSD bond angle	1.896
Data reduction software	iMOSFLM (7.1.1)
Data scaling software	SCALA (3.3.16)
Phasing software	REFMAC (5.8.0103)
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.040	48.707	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.040	0.335
Rmeas	0.091	0.047	0.393
Rpim	0.047	0.024	0.203
Total number of observations	172430
Number of reflections	48008	1528	6988
<I/σ(I)>	12	15.9	2.3
Completeness [%]	99.6	97.4	100
Redundancy	3.6	3.6	3.6

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