3HUV
Carboxypeptidase A liganded to an organic small-molecule: conformational changes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-29 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8148 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.830, 56.980, 56.690 |
| Unit cell angles | 90.00, 100.25, 90.00 |
Refinement procedure
| Resolution | 21.000 - 1.900 |
| R-factor | 0.18265 |
| Rwork | 0.182 |
| R-free | 0.22703 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ctb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.182 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.815 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.164 | 0.490 |
| Number of reflections | 21263 | |
| <I/σ(I)> | 9.6 | 2.4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 10% PEG8000, 0.02M tris, pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
