5NY7
A C145A mutant of Nesterenkonia AN1 amidase bound to nicotinamide
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 | 2012-04-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8856 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.249, 114.779, 65.363 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.240 - 1.310 |
| R-factor | 0.1517 |
| Rwork | 0.150 |
| R-free | 0.17430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hkx |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.618 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.330 |
| High resolution limit [Å] | 1.310 | 3.560 | 1.310 |
| Rmerge | 0.046 | 0.023 | 0.379 |
| Total number of observations | 280873 | ||
| Number of reflections | 63442 | ||
| <I/σ(I)> | 11.3 | ||
| Completeness [%] | 93.1 | 99 | 55.6 |
| Redundancy | 4.4 | 4.8 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M HEPES sodium, 2% PEG 400, 2.0 M ammonium sulfate |
