7A7E
Structure of a delta-N mutant - E232start - of PA1120 (TpbB or YfiN) from Pseudomonas aeruginosa (PAO1) comprising only the GGDEF domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91801 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.642, 85.104, 126.975 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.000 - 2.800 |
| R-factor | 0.2196 |
| Rwork | 0.219 |
| R-free | 0.22360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4iob |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.520 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.7) |
| Phasing software | MOLREP (11.2.05) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.640 | 49.640 | 2.950 |
| High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
| Rmerge | 0.255 | 0.036 | 1.703 |
| Rmeas | 0.265 | 0.038 | 1.770 |
| Rpim | 0.072 | 0.011 | 0.478 |
| Total number of observations | 290324 | 8717 | 42931 |
| Number of reflections | 21951 | 782 | 3175 |
| <I/σ(I)> | 10.5 | 48.4 | 1.7 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 13.2 | 11.1 | 13.5 |
| CC(1/2) | 0.996 | 1.000 | 0.682 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | Protein concentration: 2.5 mg/ml Protein Buffer: Buffer 250mM NaCl 10mM Tris pH 8 2% Gly, 5mM MgCl2 Precipitant: 0.2 M Ammonio Acetate, 0.1M Tri Sodium Citrate pH 5.5, 30% w/v PEG 4K Cryo: +20% GLY |
