3I4X
Crystal structure of the dimethylallyl tryptophan synthase FgaPT2 from Aspergillus fumigatus in complex with Trp and DMSPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Detector technology | CCD |
| Collection date | 2009-03-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.275 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.070, 97.850, 125.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.940 - 2.100 |
| R-factor | 0.151 |
| Rwork | 0.149 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i4z |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.553 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.5.0070) |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.940 | 2.130 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.100 | 0.495 |
| Number of reflections | 58992 | |
| <I/σ(I)> | 17.7 | 3.44 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 26% 1,3-butanediol, 50mM sodium L-lactate, 100mM sodium MOPSO pH 7.0, 2mM DTT, vapour diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP |
