2DJZ
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3 in complex with Biotinyl-5'-AMP, K111A mutation
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 | IMAGE PLATE |
| Collection date | 2005-11-22 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.194, 82.787, 72.324 |
| Unit cell angles | 90.00, 101.52, 90.00 |
Refinement procedure
| Resolution | 37.430 - 1.850 |
| R-factor | 0.181 |
| Rwork | 0.181 |
| R-free | 0.20000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2deq |
| RMSD bond length | 0.005 |
| 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] | 37.430 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.080 | 0.335 |
| Number of reflections | 36969 | |
| <I/σ(I)> | 11.1 | 2.37 |
| Completeness [%] | 98.1 | 92.5 |
| Redundancy | 3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 295 | PEG 20000, Acetate, NaOH, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
