3R7P
The crystal structure of I-LtrI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2010-07-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.977 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.089, 42.595, 103.195 |
| Unit cell angles | 90.00, 110.63, 90.00 |
Refinement procedure
| Resolution | 48.290 - 2.704 |
| R-factor | 0.19622 |
| Rwork | 0.192 |
| R-free | 0.26952 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qqy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.337 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.290 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.065 | 0.240 |
| Number of reflections | 12060 | |
| <I/σ(I)> | 13.2 | 6.1 |
| Completeness [%] | 98.9 | 98.7 |
| Redundancy | 6.8 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M Bis-Tris, pH 6.5, 0.2M MgCl2, 20% PEG 3500, 1mM MnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
