4AZ3
crystal structure of cathepsin a, complexed with 15a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-17 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.590, 102.800, 48.390 |
Unit cell angles | 90.00, 101.87, 90.00 |
Refinement procedure
Resolution | 47.360 - 2.040 |
Rwork | 0.188 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | MODEL DERIVED FROM PDB ENTRY 1IVY |
RMSD bond length | 0.007 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.100 | 2.100 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.060 | 0.350 |
Number of reflections | 27381 | |
<I/σ(I)> | 14.9 | 4 |
Completeness [%] | 99.0 | 99.1 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | CATA WAS CRYSTALLIZED USING THE HANGING DROP METHOD: 1 UL OF PROTEIN SOLUTION, CONTAINING 6.5 MG/ML CATHEPSIN A, 25 MM TRIS-HCL (PH 8.0) AND 300 MM NACL, WAS MIXED WITH 1 UL RESERVOIR SOLUTION, CONTAINING 100 MM NAACETATE (PH 4.5), 18-20% PEG400 AND 100 MM CDCL2, AND SET TO EQUILIBRATE AT 4 DEG. C. ROD-SHAPED CRYSTALS APPEARED IN ABOUT ONE WEEK. |