4Z44
F454K Mutant of Tryptophan 7-halogenase PrnA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 68.100, 68.100, 275.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.840 - 2.204 |
| R-factor | 0.1731 |
| Rwork | 0.171 |
| R-free | 0.21680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aqj |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.671 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1977) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.840 | 2.260 |
| High resolution limit [Å] | 2.204 | 2.200 |
| Rmerge | 0.244 | 0.840 |
| Number of reflections | 33920 | |
| <I/σ(I)> | 8.3 | 3.8 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 12.9 | 13.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 277 | 1.0 M Imidazole and MES Buffer Mix at pH 6.5, containing 0.09 M nitrate phosphate sulfate salt mix (NaNO3; Na2HPO4; (NH4)2SO4)) and 60% w/v glycerol and polyethylene glycol 4K) |
