2H7X
Pikromycin Thioesterase adduct with reduced triketide affinity label
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97922 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 107.898, 130.728, 56.484 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.330 - 1.850 |
| R-factor | 0.19612 |
| Rwork | 0.194 |
| R-free | 0.23219 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mna |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.235 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 68102 | |
| <I/σ(I)> | 24.9 | 3.3 |
| Completeness [%] | 99.0 | 92.6 |
| Redundancy | 7.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 296 | 1.4 M Li2SO4, 100 mM HEPES 7.6, 80 mM MgCl2, 2 mM DTT, 5% DMSO, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
