3PN3
Crystal structure of Arabidopsis thaliana petide deformylase 1B (AtPDF1B) in complex with inhibitor 21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.970 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.600, 55.610, 149.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.620 - 1.300 |
| R-factor | 0.15996 |
| Rwork | 0.159 |
| R-free | 0.16948 |
| Structure solution method | rigid body |
| Starting model (for MR) | 3m6o |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.143 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.380 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Number of reflections | 113073 | |
| <I/σ(I)> | 19.33 | 5.13 |
| Completeness [%] | 98.5 | 96.9 |
| Redundancy | 8 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 17% PEG-3350, Zinc acetate 200mM, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
