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 |