3EFS
Biotin protein ligase from Aquifex aeolicus in complex with biotin and ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-18 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.28400 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.225, 81.695, 143.278 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.618 - 2.300 |
R-factor | 0.232 |
Rwork | 0.230 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wpy |
RMSD bond length | 0.002 |
RMSD bond angle | 0.688 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.618 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 22163 | |
<I/σ(I)> | 10.4 | 2.5 |
Completeness [%] | 98.9 | 99 |
Redundancy | 3.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M MES, 0.2M Ammonium Sulphate, 15% MPEG 5000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |