2ZCK

Crystal structure of a ternary complex between PSA, a substrat-acyl intermediate and an activating antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	200
Detector technology	CCD
Collection date	2006-06-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 41 21 2
Unit cell lengths	86.765, 86.765, 238.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.190 - 3.100
R-factor	0.2234
Rwork	0.221
R-free	0.27522
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zch
RMSD bond length	0.015
RMSD bond angle	1.733
Data reduction software	MOSFLM
Data scaling software	PROCESS
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.190	3.270
High resolution limit [Å]	3.100	3.100
Rmerge	0.115	0.519
Number of reflections	17100
<I/σ(I)>	12.8	2.3
Completeness [%]	99.2	98.4
Redundancy	5.5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	crystal grown in 14% MPEG550, 100mM HEPES (pH7.2), then soaked in PEG400, 100mM Tris-HCl (pH7.3), 10mM ZnCl2, 0.28 mg/ml Mu-KGISSQY-AFC, VAPOR DIFFUSION, SITTING DROP, temperature 293K