4EQL
Crystal Structure of GH3.12 in complex with AMP and salicylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.420, 66.580, 101.000 |
| Unit cell angles | 90.00, 106.48, 90.00 |
Refinement procedure
| Resolution | 50.285 - 1.800 |
| R-factor | 0.1781 |
| Rwork | 0.177 |
| R-free | 0.20550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eq4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.067 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.000 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.185 | 0.914 |
| Number of reflections | 106773 | |
| <I/σ(I)> | 9.9 | 1.9 |
| Completeness [%] | 98.8 | 98.4 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 20% PEG3350, 0.25M ammonium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
