4WUM
X-ray crystal structure of Chalcone Synthase from Freesia hybrida
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 2012-06-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.93340 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.430, 79.510, 232.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.903 - 1.770 |
| R-factor | 0.1878 |
| Rwork | 0.186 |
| R-free | 0.22710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bi5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.275 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 | |
| High resolution limit [Å] | 1.770 | 7.920 | 1.770 |
| Rmerge | 0.148 | 0.036 | 0.918 |
| Rmeas | 0.160 | 0.039 | 1.042 |
| Total number of observations | 1012203 | ||
| Number of reflections | 143780 | 1788 | 10449 |
| <I/σ(I)> | 11.63 | 34.92 | 1.66 |
| Completeness [%] | 99.9 | 99.3 | 99.2 |
| Redundancy | 16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 302 | 20% w/v PEG 3350, 0.2M di-ammonium hydrogen citrate |
