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 |