3BN1
Crystal structure of GDP-perosamine synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-16 |
| Detector | BRUKER PROTEUM |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.271, 152.933, 105.726 |
| Unit cell angles | 90.00, 102.09, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.179 |
| Rwork | 0.176 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mdo |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.900 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 141987 | |
| <I/σ(I)> | 16.86 | 3.44 |
| Completeness [%] | 98.5 | 96.1 |
| Redundancy | 8.51 | 3.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | batch | 6.5 | 298 | 50 mM MES, 10% PEG 8000, 1 mM PLP, 1 mM alpha-ketoglutarate, 50 mM NaCl, pH 6.5, batch, temperature 298K |
