2DTI
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3 in Complex with Biotinyl-5'-AMP, Pyrophosphate and Mn(2+)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-11-25 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.351, 82.628, 72.718 |
| Unit cell angles | 90.00, 102.22, 90.00 |
Refinement procedure
| Resolution | 35.540 - 2.200 |
| R-factor | 0.234 |
| Rwork | 0.234 |
| R-free | 0.28400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2dkg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.071 | 0.237 |
| Number of reflections | 20276 | |
| <I/σ(I)> | 13.7 | 7.6 |
| Completeness [%] | 89.7 | 91.2 |
| Redundancy | 2.9 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 295 | PEG 20K, Acetate, NaOH, ATP, biotin, Mn(2+) , pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
