3WC7

Carboxypeptidase B in complex with EF6265

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.978
Spacegroup name	P 41 21 2
Unit cell lengths	79.360, 79.360, 100.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.020 - 1.900
R-factor	0.1824
Rwork	0.181
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wab
RMSD bond length	0.024
RMSD bond angle	1.825
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.202	27.018	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.047	0.336
Rmeas		0.049	0.349
Rpim		0.014	0.095
Total number of observations		10895	50134
Number of reflections	25909
<I/σ(I)>	25.9	45	9.7
Completeness [%]	100.0	99	100
Redundancy	13.6	11.7	13.5

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