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 |