6L2H
CGTase mutant-Y167H
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-10-23 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.939, 78.448, 135.808 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.209 - 2.096 |
| R-factor | 0.1584 |
| Rwork | 0.157 |
| R-free | 0.19480 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.965 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | PHENIX (v1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.210 | 2.180 |
| High resolution limit [Å] | 2.090 | 2.100 |
| Rmerge | 0.065 | 0.250 |
| Number of reflections | 41763 | |
| <I/σ(I)> | 20.5 | 5.3 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 8.5 | 298 | 15% PEG 4000, 0.05M Tris-HCl, 0.1M sodium acetate buffer, 25mM Na2HPO4, 150mM NaCl, 10mM imidazole, pH 8.5 |
