3RG2
Structure of a two-domain NRPS fusion protein containing the EntE adenylation domain and EntB aryl-carrier protein from enterobactin biosynthesis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2007-12-11 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97945 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 160.575, 101.771, 240.678 |
Unit cell angles | 90.00, 107.06, 90.00 |
Refinement procedure
Resolution | 39.269 - 3.100 |
R-factor | 0.2203 |
Rwork | 0.218 |
R-free | 0.26390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Mutated DhbE (pdb code 1MD9) with C-terminal domain rotated and pdb entry code 2FQ1 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.356 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_637)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.200 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.068 | 0.474 |
Number of reflections | 134330 | |
<I/σ(I)> | 13 | 1.8 |
Completeness [%] | 99.4 | 100 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbatch under oil | 6 | 293 | 1:1 mixture of protein and 20-30% PEG 3350, 100 mM NH4I, 50 mM MES , pH 6.0, microbatch under oil, temperature 293K |