6BM6
Crystal Structure of the MetH Reactivation Domain bound to AdoHcy
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-28 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.229, 61.661, 139.954 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.431 - 1.504 |
R-factor | 0.1648 |
Rwork | 0.163 |
R-free | 0.20390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 1MSK |
RMSD bond length | 0.009 |
RMSD bond angle | 1.011 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
Rmerge | 0.065 | 0.044 | 0.331 |
Rmeas | 0.073 | 0.050 | 0.394 |
Rpim | 0.033 | 0.023 | 0.210 |
Total number of observations | 239434 | ||
Number of reflections | 52678 | 2780 | 2367 |
<I/σ(I)> | 10.8 | ||
Completeness [%] | 98.4 | 94.8 | 89.3 |
Redundancy | 4.5 | 4.6 | 3.2 |
CC(1/2) | 0.997 | 0.916 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 27-32% PEG 6000, 100mM Tris pH 7.2-7.5, 300mM magnesium acetate:15mg/mL protein, 5mM AdoHcy, 20mM Tris 7.2, 20mM EDTA, 2:2uL |