4M99
Acetyltransferase domain of PglB from Neisseria gonorrhoeae FA1090 in complex with acetyl coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-04-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 97.660, 97.660, 173.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.181 - 2.600 |
Rwork | 0.202 |
R-free | 0.22740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bsw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.210 |
Data reduction software | MOSFLM (3.3.20) |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 86.955 | 86.955 | 2.740 |
High resolution limit [Å] | 2.600 | 8.220 | 2.600 |
Rmerge | 0.056 | 0.508 | |
Total number of observations | 19812 | 87305 | |
Number of reflections | 26704 | ||
<I/σ(I)> | 19 | 10.2 | 1.5 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 23.2 | 20.2 | 22.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1 M BIS-TRIS , 3.0 M NaCl, 10 mM AcCoA, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |