3NNL
Halogenase domain from CurA module (crystal form III)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.036, 79.447, 85.174 |
| Unit cell angles | 90.00, 103.02, 90.00 |
Refinement procedure
| Resolution | 40.389 - 2.883 |
| R-factor | 0.2597 |
| Rwork | 0.258 |
| R-free | 0.28740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Crystal form I and II of CurA Hal |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.440 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.065 | |
| Number of reflections | 14673 | |
| <I/σ(I)> | 21.89 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 100 mM Sodium fluoride, 18% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K |
