5T8Z
Crystal structure of a peptide deformylase from Burkholderia multivorans in complex with actinonin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-22 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 39.120, 70.540, 140.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.019 - 1.850 |
R-factor | 0.1689 |
Rwork | 0.165 |
R-free | 0.20320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hgw |
RMSD bond length | 0.010 |
RMSD bond angle | 0.997 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.019 | 1.900 | |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.047 | 0.029 | 0.485 |
Rmeas | 0.051 | 0.032 | 0.522 |
Total number of observations | 123609 | ||
Number of reflections | 17066 | 225 | 1219 |
<I/σ(I)> | 22.71 | 45.21 | 3.88 |
Completeness [%] | 99.9 | 96.2 | 99.9 |
CC(1/2) | 0.999 | 0.999 | 0.951 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | MCSG1 F4 (272591f4): 40% (v/v) PEG 400, 200 mM Magnesium chloride, 100 mM Sodium citrate:citric acid pH 5.5, 3 mM actinonin; direct cryo; puck kur4-4 |