5VSJ
Sco GlgEI-V279S in complex with a pyrolidene-based ethyl-phosphonate compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 113.855, 113.855, 317.306 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.878 - 2.456 |
| R-factor | 0.2033 |
| Rwork | 0.202 |
| R-free | 0.23790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cn1 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.681 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.878 | |
| High resolution limit [Å] | 2.450 | |
| Number of reflections | 76413 | 7224 |
| <I/σ(I)> | 14.84 | |
| Completeness [%] | 99.1 | 95.1 |
| Redundancy | 12.7 | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.2 M sodium citrate pH 7.0 and 10 % PEG 3,350 |
