4BD9

Structure of the complex between SmCI and human carboxypeptidase A4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 65 2 2
Unit cell lengths	138.670, 138.670, 161.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.856 - 2.200
R-factor	0.2247
Rwork	0.223
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4A94 CHAIN A
RMSD bond length	0.008
RMSD bond angle	1.133
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.180	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.100	0.660
Number of reflections	53712
<I/σ(I)>	7.5	2.2
Completeness [%]	99.5	98.4
Redundancy	3.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1