6IE2
Crystal structure of methyladenine demethylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 1 |
| Unit cell lengths | 89.017, 99.170, 126.793 |
| Unit cell angles | 106.60, 90.42, 93.14 |
Refinement procedure
| Resolution | 50.010 - 2.800 |
| R-factor | 0.21835 |
| Rwork | 0.216 |
| R-free | 0.25357 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ie3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.241 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.010 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.065 | 0.720 |
| Rpim | 0.056 | 0.556 |
| Number of reflections | 72797 | 1351 |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 93.0 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.978 | 0.643 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 286 | 5% PEG3350, 5% MPD, 100mM CaCl2, 200mM NaF, 100mM Bis-Tris pH6.5 |
