3FJG
Crystal structure of 3PG bound PEB3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-20 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.923, 85.700, 100.168 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 44.900 - 2.200 |
| R-factor | 0.19556 |
| Rwork | 0.194 |
| R-free | 0.22622 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hxw PDB ENTRY peb3 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.899 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 51009 | |
| <I/σ(I)> | 19.5 | |
| Completeness [%] | 96.0 | 93.8 |
| Redundancy | 6.1 | 5.8 |
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 3-PG, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
