2DKG
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3 in Complex with Biotinyl-5'-AMP, Pyrophosphate and Mg(2+)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-11-22 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.320, 82.721, 72.373 |
| Unit cell angles | 90.00, 101.81, 90.00 |
Refinement procedure
| Resolution | 32.560 - 2.000 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.22300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1wqw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.063 | 0.328 |
| Number of reflections | 28461 | |
| <I/σ(I)> | 16.5 | 3.9 |
| Completeness [%] | 95.2 | 91.8 |
| Redundancy | 3.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 295 | PEG 20000, Acetate, NaOH, ATP, biotin, Mg(2+), pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
