3PC3
Full length structure of cystathionine beta-synthase from Drosophila in complex with aminoacrylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 93.275, 138.815, 75.146 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.450 - 1.550 |
| R-factor | 0.1503 |
| Rwork | 0.148 |
| R-free | 0.18830 |
| Structure solution method | PHASER |
| Starting model (for MR) | 3pc2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.179 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
| Rmerge | 0.100 | 0.070 | 0.546 |
| Number of reflections | 66372 | ||
| <I/σ(I)> | 11.2 | ||
| Completeness [%] | 93.8 | 99.9 | 67.1 |
| Redundancy | 6.6 | 7.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 298 | 23% PEG 3350, 0.2 Li2SO4, 100 mM BIS-TRIS 6.5, vapor diffusion, temperature 298K |
