3EJD
Crystal Structure of P450BioI in complex with hexadec-9Z-enoic 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 - 2.100 |
R-factor | 0.24311 |
Rwork | 0.241 |
R-free | 0.28532 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.004 |
RMSD bond angle | 0.662 |
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 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 119441 | |
<I/σ(I)> | 10.1 | 3.2 |
Completeness [%] | 91.1 | 82.7 |
Redundancy | 2.6 | 2.6 |
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 |