4Z65

Carboxypeptidase B with Sulphamoil Arginine

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	79.380, 79.380, 100.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.250
R-factor	0.15977
Rwork	0.159
R-free	0.18004
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.318
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]	30.000	1.320
High resolution limit [Å]	1.250	1.250
Rmerge	0.110	0.380
Number of reflections	88471
<I/σ(I)>	3.5558	0.11
Completeness [%]	99.4	96.35
Redundancy	13.51	7.44

Crystallization Conditions

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