3FJM
crystal structure of phosphate bound 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 | 2008-08-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.417, 79.965, 98.392 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.700 - 1.600 |
| R-factor | 0.21741 |
| Rwork | 0.217 |
| R-free | 0.23128 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hxw PDB ENTRY peb3 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.798 |
| Data reduction software | d*TREK |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.700 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.259 | |
| Number of reflections | 65094 | |
| <I/σ(I)> | 15.8 | 8.1 |
| Completeness [%] | 98.0 | 97.7 |
| Redundancy | 6.6 | 6.1 |
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 sodium phosphate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
