6JF6
Met-ala-ser bound crystal structure of class I type b peptide deformylase from Acinetobacter baumannii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.48560 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.370, 39.347, 110.353 |
| Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
| Resolution | 49.990 - 2.350 |
| R-factor | 0.2144 |
| Rwork | 0.210 |
| R-free | 0.29160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jes |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.611 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
| Rmerge | 0.146 | 0.112 | 0.484 |
| Rmeas | 0.159 | 0.123 | 0.533 |
| Rpim | 0.062 | 0.050 | 0.220 |
| Total number of observations | 168949 | ||
| Number of reflections | 26193 | 1405 | 1275 |
| <I/σ(I)> | 4.4 | ||
| Completeness [%] | 99.8 | 99.5 | 99.2 |
| Redundancy | 6.5 | 6 | 5.6 |
| CC(1/2) | 0.986 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 287 | 0.2 M Calcium acetate hydrate, 0.1 M sodium cacodylate trihydrate pH 6.5, 18% (w/v) polyethylene glycol 8000 |
