5K4A
Structure of the amidase mutant E79A at 2.3 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-12-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 104.395, 79.630, 106.412 |
| Unit cell angles | 90.00, 107.84, 90.00 |
Refinement procedure
| Resolution | 24.730 - 2.300 |
| R-factor | 0.1831 |
| Rwork | 0.180 |
| R-free | 0.24620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n57 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.162 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.057 | |
| Number of reflections | 68904 | |
| <I/σ(I)> | 6.7 | |
| Completeness [%] | 92.2 | |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 5% PEG 6000, 0.1M sodium citrate (pH 5.0), 8% MPD against a reservoir solution of 15% PEG 6000, 0.1M Tris-Hcl (pH 8.5), 5% MPD. |
