3K6L
The structure of E.coli peptide deformylase (PDF) in complex with peptidomimetic ligand BB2827
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 73.960, 73.960, 241.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 241.500 - 2.150 |
R-factor | 0.26113 |
Rwork | 0.258 |
R-free | 0.31919 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g27 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.162 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 241.500 |
High resolution limit [Å] | 2.150 |
Rmerge | 0.069 |
Number of reflections | 37679 |
<I/σ(I)> | 8.4 |
Completeness [%] | 90.8 |
Redundancy | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 20% PEG3350, 0.2M Potassium formate, VAPOR DIFFUSION, SITTING DROP, temperature 294K |