1QKP
HIGH RESOLUTION X-RAY STRUCTURE OF AN EARLY INTERMEDIATE IN THE BACTERIORHODOPSIN PHOTOCYCLE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 1999-02-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 63 |
| Unit cell lengths | 61.060, 61.060, 110.570 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.000 - 2.100 |
| R-factor | 0.2222 |
| Rwork | 0.222 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qhj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.164 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 |
| Phasing software | CNS (0.5) |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.055 * | 0.370 * |
| Total number of observations | 67437 * | |
| Number of reflections | 13653 | |
| <I/σ(I)> | 10.1 | 2.1 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 5.6 | 20 * | Landau, E.M., (1996) Proc.Natl.Acad.Sci.USA., 93, 14532. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | sodium potassium Pi | 3.3 (M) | |
| 2 | 1 | 1 | protein | 3.5 (mg/ml) | |
| 3 | 1 | 1 | methylpentandiol | 0.05 (%) | |
| 4 | 1 | 1 | beta-octylglycopyranoside | 1.2 (%) |
