6EDD
Crystal structure of a GNAT Superfamily PA3944 acetyltransferase in complex with CoA (P1 space group)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.452, 44.175, 60.125 |
| Unit cell angles | 81.88, 73.32, 89.94 |
Refinement procedure
| Resolution | 34.890 - 1.550 |
| R-factor | 0.167 |
| Rwork | 0.166 |
| R-free | 0.19350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6edv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.371 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
| Rmerge | 0.053 | 0.034 | 0.397 |
| Rmeas | 0.069 | 0.044 | 0.521 |
| Rpim | 0.044 | 0.027 | 0.335 |
| Total number of observations | 121370 | ||
| Number of reflections | 49684 | 2485 | 2440 |
| <I/σ(I)> | 11.7 | ||
| Completeness [%] | 96.2 | 95.7 | 93.5 |
| Redundancy | 2.4 | 2.4 | 2.1 |
| CC(1/2) | 0.996 | 0.773 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.3 ul of 10 mg/ml protein incubated with 5mM CoA and 5 mM colistin was mixed with 0.2 ul of the well condition (MCSG suite I condition 11 - 100 mM Tris-HCl pH 7.0, 200 mM calcium acetate, 20% w/v PEG 3000) and equilibrated against well solution in 96 Well 3 drop Crystallization Plate (Swissci). |
