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 |