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 |