2E41
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii Complexed with the Reaction Product Analog Biotinol-5'-AMP, Mutations R48A and K111A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.248, 82.825, 72.711 |
| Unit cell angles | 90.00, 101.61, 90.00 |
Refinement procedure
| Resolution | 37.470 - 1.750 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.20800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1wqw |
| RMSD bond length | 0.008 |
| 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] | 41.410 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.067 | 0.313 |
| Number of reflections | 42972 | |
| <I/σ(I)> | 9.8 | 2.1 |
| Completeness [%] | 96.2 | 84.6 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.2 | 295 | PEG20K, Acetate, NaOH, biotinol-5'-AMP, pH 5.2, microbatch, temperature 295K |
