5JQN
NitN Amidase from Neterenkonia sp. AN1 after thrombin His-tag removal.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-08 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9173 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 75.423, 115.794, 65.757 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.566 - 1.190 |
R-factor | 0.1753 |
Rwork | 0.175 |
R-free | 0.18320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hkx |
RMSD bond length | 0.006 |
RMSD bond angle | 1.016 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.566 | |
High resolution limit [Å] | 1.190 | 1.190 |
Rmeas | 0.037 | |
Total number of observations | 580951 | |
Number of reflections | 91215 | |
<I/σ(I)> | 25.13 | |
Completeness [%] | 98.6 | |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.15 | 2M Ammonium Sufate |