6ITD
Crystal structure of BioU (K124A) from Synechocystis sp.PCC6803 in complex with the analog of reaction intermediate, 3-(1-aminoethyl)-nonanedioic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-17 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 71.167, 71.167, 98.211 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 61.630 - 2.000 |
| R-factor | 0.19033 |
| Rwork | 0.187 |
| R-free | 0.24883 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ir4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.238 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.630 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.091 | 0.588 |
| Rpim | 0.035 | 0.203 |
| Number of reflections | 19876 | 981 |
| <I/σ(I)> | 31.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 8.7 | |
| CC(1/2) | 0.998 | 0.973 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20% (w/v) polyethylene glycol 3350, 0.2 M ammonium acetate, 5mM 3-(1-aminoethyl)-nonanedioic acid |
