5GMA
Crystal structure of the P228A variant of Thermotoga maritima acetyl esterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-04-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.760, 115.690, 103.240 |
| Unit cell angles | 90.00, 110.21, 90.00 |
Refinement procedure
| Resolution | 50.140 - 2.100 |
| R-factor | 0.17799 |
| Rwork | 0.176 |
| R-free | 0.21359 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fdf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.422 |
| Data reduction software | iMOSFLM (7.1.1) |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.140 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.160 | 0.668 |
| Number of reflections | 115330 | |
| <I/σ(I)> | 10.2 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.2 | 6 |
| CC(1/2) | 0.993 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.05M ammonium sulfate, 0.1M Bis-Tris pH 6.5 and 30%(V/V) pentaerythritolethoxylate (15/4 EO/OH) |
