4IZT
The E41Q mutant of the amidase from Nesterenkonia sp. AN1 showing covalent addition of the acetamide moiety of fluoroacetamide at the active site cysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-15 |
Wavelength(s) | 0.8856 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.580, 115.450, 64.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.470 - 1.920 |
R-factor | 0.1469 |
Rwork | 0.145 |
R-free | 0.18180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.033 |
RMSD bond angle | 2.263 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.470 | 32.465 | 2.020 |
High resolution limit [Å] | 1.920 | 6.070 | 1.920 |
Rmerge | 0.036 | 0.413 | |
Total number of observations | 5260 | 23761 | |
Number of reflections | 22375 | ||
<I/σ(I)> | 13 | 15 | 1.8 |
Completeness [%] | 100.0 | 99.4 | 100 |
Redundancy | 7.3 | 6.7 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M Tris-HCL, 2.0 M ammonium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |