7CIW
Crystal Structure of Agmatine N-Acetyltransferase mutant S171A in complex with Ac-Agm and CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-10-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.911, 51.235, 78.459 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.207 - 1.600 |
R-factor | 0.1885 |
Rwork | 0.184 |
R-free | 0.23380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5k9n |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.16) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.660 |
High resolution limit [Å] | 1.599 | 3.450 | 1.600 |
Rmerge | 0.073 | 0.041 | 0.761 |
Rmeas | 0.079 | 0.045 | 0.858 |
Rpim | 0.031 | 0.018 | 0.387 |
Number of reflections | 23468 | 2495 | 2283 |
<I/σ(I)> | 15.1 | ||
Completeness [%] | 99.6 | 98.9 | 98.6 |
Redundancy | 6.5 | 6.1 | 4.5 |
CC(1/2) | 0.998 | 0.618 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M sodium HEPES (pH7.0), 2.0M ammonium sulfate |