5CLN
Crystal structure of a 4-oxalocrotonate tautomerase mutant at 2.7 Angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-01-17 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.163, 87.258, 97.284 |
| Unit cell angles | 90.00, 113.73, 90.00 |
Refinement procedure
| Resolution | 57.600 - 2.710 |
| R-factor | 0.234 |
| Rwork | 0.233 |
| R-free | 0.26340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4x19 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.988 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.600 | 2.840 |
| High resolution limit [Å] | 2.710 | 2.710 |
| Rmerge | 0.148 | 0.714 |
| Total number of observations | 76379 | |
| Number of reflections | 18204 | |
| <I/σ(I)> | 6.9 | 1.8 |
| Completeness [%] | 99.4 | 95.8 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M sodium formate, 0.1 M Bis-Tris Propane, 20% PEG 3350 |
