5NYE
A C145A mutant of Nesterenkonia AN1 amidase bound to propionamide
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 | 75.102, 115.306, 65.348 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.630 - 1.550 |
| R-factor | 0.1444 |
| Rwork | 0.143 |
| R-free | 0.16710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hkx |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.405 |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 23.630 | 24.453 | 1.630 |
| High resolution limit [Å] | 1.550 | 4.900 | 1.550 |
| Rmerge | 0.020 | 0.421 | |
| Rmeas | 0.073 | 0.022 | 0.460 |
| Rpim | 0.028 | 0.008 | 0.181 |
| Total number of observations | 273901 | 9472 | 35736 |
| Number of reflections | 41219 | ||
| <I/σ(I)> | 17.1 | 40.2 | 4.4 |
| Completeness [%] | 99.6 | 99 | 98.8 |
| Redundancy | 6.6 | 6.7 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M HEPES sodium, 2% PEG 400, 2.0M Ammonium sulfate |
