6LRP
Crystal structure of isocitrate lyase (Caur_3889) from Chloroflexus aurantiacus in complex with manganese ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-15 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 92.772, 92.772, 216.114 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.590 - 2.050 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.22310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e5b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.496 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
| Rmerge | 0.100 | 0.063 | 0.309 |
| Rmeas | 0.107 | 0.066 | 0.352 |
| Rpim | 0.036 | 0.019 | 0.161 |
| Total number of observations | 197726 | ||
| Number of reflections | 28958 | 1630 | 1355 |
| <I/σ(I)> | 10.9 | ||
| Completeness [%] | 96.4 | 98.1 | 92.9 |
| Redundancy | 6.8 | 10.4 | 3.8 |
| CC(1/2) | 0.998 | 0.525 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 8% PEG 8000, 0.2M Tris-HCl pH 8.5 |
