3GLJ
A polymorph of carboxypeptidase B zymogen structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8123 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.590, 49.970, 50.630 |
| Unit cell angles | 109.94, 104.50, 96.19 |
Refinement procedure
| Resolution | 19.630 - 1.890 |
| R-factor | 0.16648 |
| Rwork | 0.166 |
| R-free | 0.19816 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nsa |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.025 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.930 |
| High resolution limit [Å] | 1.880 | 1.890 |
| Rmerge | 0.050 | 0.222 |
| Number of reflections | 33758 | 2316 |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 96.4 | 88.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1M sodium citrate, 1.6M ammonium sulfate, pH5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
