5NXZ
A C145A mutant of Nesterenkonia AN1 amidase from the nitrilase superfamily
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 | 2015-03-06 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.917300 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 74.814, 114.977, 65.827 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.490 - 1.210 |
R-factor | 0.1688 |
Rwork | 0.168 |
R-free | 0.19640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Undeposited model |
RMSD bond length | 0.033 |
RMSD bond angle | 2.625 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 57.490 | 57.490 | 1.280 |
High resolution limit [Å] | 1.210 | 3.620 | 1.210 |
Rmerge | 0.048 | 0.037 | 0.465 |
Rmeas | 0.052 | 0.041 | 0.506 |
Total number of observations | 550851 | ||
Number of reflections | 82613 | 3307 | 11715 |
<I/σ(I)> | 20.21 | 50.07 | 4.11 |
Completeness [%] | 95.5 | 96.3 | 84.5 |
Redundancy | 6.668 | 6.654 | 6.283 |
CC(1/2) | 0.999 | 0.998 | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 2.0 M AMMONIUM SULFATE |