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 |
