3LQY
Crystal structure of putative isochorismatase hydrolase from Oleispira antarctica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 41.590, 41.590, 171.198 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.750 |
| R-factor | 0.21321 |
| Rwork | 0.212 |
| R-free | 0.24282 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.550 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.090 | 0.540 |
| Number of reflections | 18174 | |
| <I/σ(I)> | 48.5 | 2.5 |
| Completeness [%] | 98.8 | 91.3 |
| Redundancy | 8.7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 295 | PEG 3350 25%, NaCl 0.2M, Na citrate 0.1M pH 5.6, VAPOR DIFFUSION, temperature 295K |
