7L1A
Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor, di-imido triphosphate (PNPNP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 68.113, 94.148, 117.237 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.920 - 1.250 |
R-factor | 0.124 |
Rwork | 0.123 |
R-free | 0.14100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a1i |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19RC5_4047) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 18.920 | 18.920 | 1.270 |
High resolution limit [Å] | 1.250 | 6.850 | 1.250 |
Rmerge | 0.171 | 0.155 | 0.584 |
Rmeas | 0.178 | 0.162 | 0.611 |
Rpim | 0.050 | 0.045 | 0.178 |
Total number of observations | 1272536 | 8269 | 61643 |
Number of reflections | 103846 | 674 | 5080 |
<I/σ(I)> | 12.2 | 19 | 5.7 |
Completeness [%] | 99.9 | 95.2 | 100 |
Redundancy | 12.3 | 12.3 | 12.1 |
CC(1/2) | 0.992 | 0.977 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 292 | 0.2 M lithium citrate, 15% PEG3350 |