4EWV
Crystal structure of GH3.12 in complex with AMPCPP
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 | 2011-06-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 41 |
| Unit cell lengths | 116.348, 116.348, 94.663 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.032 - 2.897 |
| R-factor | 0.2457 |
| Rwork | 0.243 |
| R-free | 0.28590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eql |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.849 |
| 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] | 52.000 | 2.980 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.098 | 0.720 |
| Number of reflections | 27316 | |
| <I/σ(I)> | 13.7 | 2.1 |
| Completeness [%] | 96.8 | 97.9 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 291 | 1.8M sodium/potassium phosphate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
