6D5X
Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, Adenosylcobalamin, and Triphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2017-06-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.5498 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 112.685, 112.685, 117.939 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.790 - 2.400 |
R-factor | 0.1856 |
Rwork | 0.184 |
R-free | 0.21210 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.790 | 48.790 | 2.490 |
High resolution limit [Å] | 2.400 | 8.960 | 2.400 |
Rmerge | 0.102 | 0.045 | 1.404 |
Rmeas | 0.108 | 0.048 | 1.479 |
Rpim | 0.034 | 0.016 | 0.461 |
Total number of observations | 339498 | ||
Number of reflections | 34408 | 739 | 3485 |
<I/σ(I)> | 14.5 | ||
Completeness [%] | 99.8 | 99.3 | 98 |
Redundancy | 9.9 | 9.2 | 10.1 |
CC(1/2) | 0.998 | 0.998 | 0.702 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 19% PEG 3350, 0.2 M MgSO4, 10 % glycerol |