4K2I
Crystal structure of ntda from bacillus subtilis with bound cofactor pmp
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 | 2011-10-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.109, 106.979, 99.177 |
| Unit cell angles | 90.00, 95.96, 90.00 |
Refinement procedure
| Resolution | 37.032 - 2.225 |
| R-factor | 0.1608 |
| Rwork | 0.158 |
| R-free | 0.21120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k2b |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.081 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.800 | 1.750 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.066 | 0.755 |
| Number of reflections | 108740 | |
| <I/σ(I)> | 14.28 | 2.14 |
| Completeness [%] | 99.3 | 98.5 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 295 | 0.1M tri-sodium citrate, 0.2M ammonium acetate, 20% PEG3350, 55mM glutamate, microbatch, pH 5.6, EVAPORATION, temperature 295K |
