5XKQ
Crystal structure of Msmeg3575 in complex with ammeline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.679, 61.392, 109.406 |
| Unit cell angles | 90.00, 89.95, 90.00 |
Refinement procedure
| Resolution | 109.410 - 2.700 |
| R-factor | 0.19567 |
| Rwork | 0.193 |
| R-free | 0.25327 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xko |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.452 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 109.410 | 2.750 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Number of reflections | 19362 | |
| <I/σ(I)> | 12.9 | |
| Completeness [%] | 99.1 | |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 0.2 M magnesium acetate tetrahydrate, 0.1 M TRis HCl pH 6.4 and 20% PEG 8000 |
