4H2W
Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens 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 | 2011-11-05 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.953720 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 99.695, 101.248, 102.997 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.755 - 1.950 |
R-factor | 0.1727 |
Rwork | 0.172 |
R-free | 0.19630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.074 |
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] | 45.755 | 45.755 | 2.060 |
High resolution limit [Å] | 1.940 | 5.790 | 1.940 |
Rmerge | 0.068 | 0.027 | 0.489 |
Number of reflections | 76787 | 3116 | 11860 |
<I/σ(I)> | 24.32 | 56.2 | 5.63 |
Completeness [%] | 99.3 | 98.8 | 96.2 |
Redundancy | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 10% PEG 4000, 10% PEG 8000, 0.17M ammonium acetate, 0.085M trisodium citrate dyhydrate pH 5.6, 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K |