2DXT
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii Complexed with ATP and Biotin, Mutation D104A
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 | 2006-07-04 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.134, 82.826, 72.220 |
Unit cell angles | 90.00, 102.53, 90.00 |
Refinement procedure
Resolution | 37.230 - 1.600 |
R-factor | 0.1875 |
Rwork | 0.188 |
R-free | 0.20120 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1wqw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
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 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.049 | 0.259 |
Number of reflections | 51912 | |
<I/σ(I)> | 19 | 2.7 |
Completeness [%] | 90.8 | 74.7 |
Redundancy | 3.3 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.2 | 295 | PEG20K, Acetate, NaOH, ATP, Biotin, pH 5.2, microbatch, temperature 295K |