4YIY
Structure of MRB1590 bound to AMP-PNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.181, 71.522, 103.543 |
| Unit cell angles | 90.00, 120.03, 90.00 |
Refinement procedure
| Resolution | 44.820 - 3.016 |
| R-factor | 0.2379 |
| Rwork | 0.233 |
| R-free | 0.29750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yix |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.184 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.050 |
| High resolution limit [Å] | 3.000 | 8.130 | 3.000 |
| Rmerge | 0.149 | 0.054 | 0.427 |
| Total number of observations | 89754 | ||
| Number of reflections | 25461 | ||
| <I/σ(I)> | 5.5 | ||
| Completeness [%] | 98.6 | 99.8 | 88.5 |
| Redundancy | 3.5 | 3.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | MMT buffer, pH 9.0, PEG 1500 |
