3EJB
Crystal Structure of P450BioI in complex with tetradecanoic acid ligated Acyl Carrier Protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98089 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.300, 92.100, 107.700 |
| Unit cell angles | 109.00, 89.20, 90.10 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.224 |
| Rwork | 0.222 |
| R-free | 0.26600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | SAD Structure |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.499 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 144447 | |
| <I/σ(I)> | 21.8 | 7.4 |
| Completeness [%] | 96.9 | 94.9 |
| Redundancy | 7.9 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1 M Na HEPES, 0.25 M NaCl, 0.15 M Li2SO4, 19% PEG 4000, 0.2% n-heptyl b-D-thioglucopyranoside, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
