2J5G
The Native structure of a beta-Diketone Hydrolase from the Cyanobacterium Anabaena sp. PCC 7120
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-16 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 117.999, 83.188, 154.010 |
| Unit cell angles | 90.00, 90.08, 90.00 |
Refinement procedure
| Resolution | 154.300 - 1.460 |
| R-factor | 0.151 |
| Rwork | 0.150 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o8u |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.548 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.510 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.070 | 0.270 |
| Number of reflections | 515541 | |
| <I/σ(I)> | 22.26 | 4.71 |
| Completeness [%] | 97.7 | 86.8 |
| Redundancy | 4.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.1 M MES PH 5.5, 15% PEG 4000, 0.8 M SODIUM FORMATE |
