4H2S
Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with cognate carrier protein and AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-26 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0051 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.046, 101.677, 103.981 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.290 - 2.150 |
R-factor | 0.1723 |
Rwork | 0.171 |
R-free | 0.20650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mf2 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.047 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | EPMR |
Refinement software | PHENIX (dev_1116) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.290 | 46.290 | 2.280 |
High resolution limit [Å] | 2.150 | 6.390 | 2.150 |
Rmerge | 0.075 | 0.019 | 0.528 |
Number of reflections | 53843 | 2217 | 8563 |
<I/σ(I)> | 22.91 | 71.74 | 4.2 |
Completeness [%] | 99.9 | 99.7 | 99.7 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 25.5% PEG 8000, 0.17M ammonium sulfate, 0.085 M sodium cacodylate pH 6.5, 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K |