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 |