3QUM
Crystal structure of human prostate specific antigen (PSA) in Fab sandwich with a high affinity and a PCa selective antibody
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 |
Collection date | 2007-03-17 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.872600 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.308, 226.883, 118.694 |
Unit cell angles | 90.00, 96.51, 90.00 |
Refinement procedure
Resolution | 58.965 - 3.200 |
R-factor | 0.2032 |
Rwork | 0.198 |
R-free | 0.29370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zch using individual PSA and Fab as independent search models. |
RMSD bond length | 0.011 |
RMSD bond angle | 1.623 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 81.650 | 81.650 | 3.370 |
High resolution limit [Å] | 3.200 | 10.120 | 3.200 |
Rmerge | 0.145 | 0.071 | 0.791 |
Number of reflections | 47573 | ||
<I/σ(I)> | 8.4 | 20.4 | 1.7 |
Completeness [%] | 99.6 | 99 | 98.8 |
Redundancy | 2.5 | 2.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | Protein solution: 20 ul 5D3D11 at 10.7 mg/ml and 10 ul PSA at 5 mg/ml + 31 ul 5D5A5 at 6.7mg/ml in PBS. against a precipitant of 10% PEG 4,000, 20% ethylene glycol, 100 mM Na,K phosphate. Drops consisted of 1 ul protein + precipitant equilibrated by vapor diffusion. Streak seeding and macro seeding were used, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |