4K2B
Crystal structure of ntda from bacillus subtilis in complex with the internal aldimine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.240, 106.455, 98.646 |
| Unit cell angles | 90.00, 96.21, 90.00 |
Refinement procedure
| Resolution | 28.930 - 2.310 |
| R-factor | 0.163 |
| Rwork | 0.161 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oge |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.049 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MrBUMP |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.084 | 0.294 |
| Number of reflections | 45198 | |
| <I/σ(I)> | 8.7 | 4.31 |
| Completeness [%] | 98.4 | 85.1 |
| Redundancy | 7.5 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 295 | 0.1M tri-sodium citrate, 0.2M ammonium acetate, 17.5% PEG3350, 0.4M NaCl, microbatch, temperature 295K, pH 5.6, EVAPORATION |
