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 |