7QRH
Crystal structure of the 5-(aminomethyl)furan-3-yl methyl phosphate kinase MfnE from Methanococcus vannielii.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-23 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 86.147, 86.147, 234.105 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 74.717 - 2.360 |
| Rwork | 0.204 |
| R-free | 0.25760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | TrRosetta |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.528 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.040 | 2.450 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Number of reflections | 22089 | 2259 |
| <I/σ(I)> | 22.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 113.8 | |
| CC(1/2) | 1.000 | 0.306 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M (NH4)2SO4, 0.1 M HEPES pH 7.5, 35% w/v PAA 2100 |
