3KRV
The Structure Of Potential Metal-Dependent Hydrolase With Cyclase Activity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2007-02-09 |
| Detector | SBC-3 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 119.096, 119.096, 124.413 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.880 - 2.550 |
| R-factor | 0.19434 |
| Rwork | 0.193 |
| R-free | 0.24435 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r61 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.667 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.072 | 0.688 |
| Number of reflections | 29938 | |
| <I/σ(I)> | 39.3 | 2.772 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.4 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2M LiSulfate, 0.1M TrisH8.5, 1.26M AmmSulfate freezing cond: 20% ethylene glycol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
