3GIN
Crystal structure of E454K-CBD1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 91.858, 91.858, 65.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.960 - 2.400 |
| R-factor | 0.19615 |
| Rwork | 0.193 |
| R-free | 0.25862 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dpk |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.491 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.000 | 2.420 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.095 | 0.524 |
| Number of reflections | 10733 | |
| <I/σ(I)> | 3.5 | |
| Completeness [%] | 98.3 | 99.1 |
| Redundancy | 6.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | mother liquor: 3.5 M ammonium chloride, 0.1 M sodium acetate, protein concentration: 20 mg/ml, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
