2ZCL

Crystal structure of human prostate specific antigen complexed with an activating antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	200
Detector technology	CCD
Collection date	2006-09-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.873
Spacegroup name	P 41 21 2
Unit cell lengths	87.978, 87.978, 238.063
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.480 - 3.250
R-factor	0.20379
Rwork	0.201
R-free	0.25098
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zch
RMSD bond length	0.017
RMSD bond angle	1.742
Data reduction software	MOSFLM
Data scaling software	PROCESS
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.040	3.430
High resolution limit [Å]	3.250	3.250
Rmerge	0.144	0.467
Number of reflections	15532
<I/σ(I)>	14.9	4.9
Completeness [%]	99.9	99.4
Redundancy	8	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	crystals grown in 14% MPEG550, 100mM HEPES (pH7.2), then soaked in 33% PEG400, 100mM MES (pH5.5), 10mM ZnCl2, 0.28mg/ml Mu-KGISSQY-AFC, VAPOR DIFFUSION, SITTING DROP, temperature 293K