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 |