3KL2
Crystal structure of a putative isochorismatase from Streptomyces avermitilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.742, 112.102, 178.904 |
| Unit cell angles | 90.00, 99.47, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.191 |
| Rwork | 0.188 |
| R-free | 0.23900 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.514 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.962 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.099 | 0.407 |
| Number of reflections | 114465 | |
| <I/σ(I)> | 9.3 | 2.9 |
| Completeness [%] | 97.8 | 96.9 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 294 | 35% PEG 8K, 250mM ammonium sulfate, pH 7.0, vapor diffusion, temperature 294K |
