7KYE
Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.208, 44.075, 97.313 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.690 - 1.930 |
| R-factor | 0.1753 |
| Rwork | 0.173 |
| R-free | 0.21590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6edd |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.158 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.960 |
| High resolution limit [Å] | 1.930 | 5.240 | 1.930 |
| Rmerge | 0.136 | 0.066 | 0.512 |
| Rmeas | 0.147 | 0.072 | 0.581 |
| Rpim | 0.054 | 0.028 | 0.266 |
| Total number of observations | 84478 | ||
| Number of reflections | 13814 | 825 | 554 |
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 94.9 | 99.3 | 78.7 |
| Redundancy | 6.1 | 6.6 | 3.7 |
| CC(1/2) | 0.997 | 0.836 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 288 | 0.2 uL of 20 mg/mL protein incubated with 2.5 mM CoA was mixed with 0.2 uL of the well condition (20%w/v PEG 8K, 100mM CHES pH=9.5 (Emerald - Wizard Full (I & II) #1) and equilibrated against well solution in 96 Well 3 drop Crystallization Plate (Swissci). |
