4IZS
The C145A mutant of the amidase from Nesterenkonia sp. AN1 in complex with butyramide
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 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8856 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.320, 114.830, 65.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.950 - 1.440 |
| R-factor | 0.1606 |
| Rwork | 0.160 |
| R-free | 0.17880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hkx |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.760 |
| 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] | 22.951 | 22.951 | 1.520 |
| High resolution limit [Å] | 1.440 | 4.550 | 1.440 |
| Rmerge | 0.029 | 0.385 | |
| Total number of observations | 11893 | 51604 | |
| Number of reflections | 51279 | ||
| <I/σ(I)> | 15.1 | 19.1 | 2 |
| Completeness [%] | 99.9 | 98.7 | 99.8 |
| Redundancy | 7.2 | 6.9 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES sodium, 2% PEG 400, 2.0 M ammonium sulfate , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
