5KOB
Crystal structure of a peptide deformylase from Burkholderia xenovorans
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 | 2016-03-31 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.550, 92.000, 142.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.072 - 1.600 |
R-factor | 0.1652 |
Rwork | 0.165 |
R-free | 0.19190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ghw |
RMSD bond length | 0.006 |
RMSD bond angle | 0.873 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((dev_2443: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.050 | 0.032 | 0.508 |
Number of reflections | 109668 | ||
<I/σ(I)> | 17.52 | 39.56 | 2.89 |
Completeness [%] | 99.3 | 90.9 | 100 |
Redundancy | 5.5 | 5.5 | |
CC(1/2) | 0.999 | 0.998 | 0.892 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | JCSG+ A5 (270125a5): 20% w/v PEG3350, 200mM Magnesium formate dihydrate; 20eg2step; protein 22mg/mL; ehj6-10 |