4KLW
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with 2-(aminocarbonyl)benzoate
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 | 2010-07-09 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9787 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 56.962, 75.957, 39.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.290 - 1.300 |
R-factor | 0.14071 |
Rwork | 0.139 |
R-free | 0.17439 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2i6c |
RMSD bond length | 0.019 |
RMSD bond angle | 1.853 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 (MOLREP) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.060 | 0.423 |
Number of reflections | 42231 | |
<I/σ(I)> | 38.5 | 2 |
Completeness [%] | 99.5 | 94.1 |
Redundancy | 5.5 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 2M ammonium sulfate, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |