6BM5
Crystal Structure of the MetH Reactivation Domain bound to AdoMet
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 | 2016-08-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.098, 61.669, 139.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.199 - 1.500 |
R-factor | 0.1482 |
Rwork | 0.146 |
R-free | 0.19350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 1MSK |
RMSD bond length | 0.007 |
RMSD bond angle | 0.899 |
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 | 0.060 | 0.043 | 0.233 |
Rmeas | 0.067 | 0.048 | 0.268 |
Rpim | 0.028 | 0.020 | 0.129 |
Total number of observations | 285503 | ||
Number of reflections | 53119 | 2787 | 2367 |
<I/σ(I)> | 12.8 | ||
Completeness [%] | 98.5 | 94.5 | 88.8 |
Redundancy | 5.4 | 5.3 | 3.7 |
CC(1/2) | 0.997 | 0.962 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 28% PEG 6000, 100mM Tris pH 7.4, 300mM magnesium acetate:15mg/mL protein, 3mM AdoMet, 10mM Tris 7.2, 10mM EDTA, 3:3uL |