3B1V
Crystal structure of an S. thermophilus NFeoB E67A mutant bound to mGMPPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95369 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 49.200, 82.700, 150.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.350 - 1.850 |
| R-factor | 0.18665 |
| Rwork | 0.185 |
| R-free | 0.22257 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lx5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.431 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
| Rmerge | 0.072 | 0.045 | 0.762 |
| Number of reflections | 26037 | ||
| <I/σ(I)> | 15.3 | 1.9 | |
| Completeness [%] | 97.2 | 91.3 | 96.3 |
| Redundancy | 4.1 | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.2M NaCl, 0.1M HEPES, 20%(w/v) PEG 6000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
