3PBJ
Hydrolytic catalysis and structural stabilization in a designed metalloprotein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2008-06-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 25.877, 38.649, 75.659 |
| Unit cell angles | 90.00, 95.06, 90.00 |
Refinement procedure
| Resolution | 26.980 - 2.200 |
| R-factor | 0.2078 |
| Rwork | 0.205 |
| R-free | 0.26360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.730 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 7625 | |
| <I/σ(I)> | 20 | 2 |
| Completeness [%] | 98.3 | 97.1 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 200 mM NaCl, 28% PEG 8000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
