4LKB
Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 111.022, 132.926, 133.121 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.850 - 2.160 |
| R-factor | 0.1778 |
| Rwork | 0.176 |
| R-free | 0.22095 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.928 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.200 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.079 | 0.316 |
| Number of reflections | 52878 | |
| <I/σ(I)> | 14.2 | 2 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 14.6 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2M Lithium Sulfate, 0.1M bis-tris, 25% PEG 3350., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
