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 |