3FIR
Crystal structure of Glycosylated K135E PEB3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.580, 101.962, 56.809 |
| Unit cell angles | 90.00, 108.88, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.21687 |
| Rwork | 0.216 |
| R-free | 0.23492 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hxw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.099 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.000 |
| Number of reflections | 35349 |
| <I/σ(I)> | 17.1 |
| Completeness [%] | 98.0 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 18% [w/v] polyethylene glycol 3350, 0.2 M di-ammonium hydrogen citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
