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 |