3QBK
Bromide-bound form of pharaonis halorhodopsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.912 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.150, 99.720, 99.970 |
| Unit cell angles | 90.00, 127.80, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.200 |
| R-factor | 0.2482 |
| Rwork | 0.248 |
| R-free | 0.26690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7k |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.135 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.900 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.095 | 0.501 |
| Number of reflections | 58115 | |
| <I/σ(I)> | 5.2 | 2.5 |
| Completeness [%] | 97.2 | 82.9 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 288 | Crystallization: 3.5 mg/ml halorhodopsin, 5mg/ml nonylglucoside, 2.8M ammonium sulfate, 0.1 M glycine, 0.1M NaCl Post-crystallization soaking: 0.1 M Sodium Bromide, 3 M ammonium sulfate, 0.1 M Hepes (pH7), 30% trehalose , pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 288K |
