4PYA
MoaC K51A in complex with 3',8-cH2GTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Wavelength(s) | 1 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 89.933, 89.933, 62.446 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.437 - 1.789 |
| R-factor | 0.1758 |
| Rwork | 0.174 |
| R-free | 0.19350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID: 1EKR |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.408 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.820 |
| High resolution limit [Å] | 1.789 | 4.860 | 1.790 |
| Rmerge | 0.058 | 0.044 | 0.675 |
| Number of reflections | 14516 | ||
| <I/σ(I)> | 15 | ||
| Completeness [%] | 99.6 | 96.4 | 99.6 |
| Redundancy | 6.8 | 5.6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 35% PEG 1500 and 0.1 M MMT buffer (pH 9.0), VAPOR DIFFUSION, HANGING DROP, temperature 298K |
