5KWE
Thermostable mutant of halohydrin dehalogenase HheC - C153N
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-12-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.744, 70.126, 118.342 |
| Unit cell angles | 90.00, 100.72, 90.00 |
Refinement procedure
| Resolution | 48.777 - 1.684 |
| R-factor | 0.1395 |
| Rwork | 0.138 |
| R-free | 0.16570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zmt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.849 |
| Data reduction software | XDS (January 10, 2014) |
| Data scaling software | Aimless (0.3.6) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.190 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.023 | 0.091 |
| Rmeas | 0.026 | |
| Rpim | 0.013 | |
| Total number of observations | 447511 | |
| Number of reflections | 115837 | |
| <I/σ(I)> | 40.1 | |
| Completeness [%] | 92.8 | 79.7 |
| Redundancy | 3.9 | 3.4 |
| CC(1/2) | 1.000 | 0.989 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | PEG 3350 20% (w/v), 0.1 M Bis tris propane pH 6.5, 0.2 M NaF |
