2R8Q
Structure of LmjPDEB1 in complex with IBMX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.753, 78.688, 70.511 |
| Unit cell angles | 90.00, 92.46, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.500 |
| Rwork | 0.190 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | The catalytic domain of PDE7A1 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.620 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.054 | 0.220 |
| Number of reflections | 100381 | |
| <I/σ(I)> | 14 | 3.4 |
| Completeness [%] | 99.5 | 68.9 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | The protein drop was prepared by mixing 2 microliter of the LmjPDEB1-IBMX complex with 2 microliter well buffer of 30% PEG3350, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
