6LRT
Crystal structure of isocitrate lyase (Caur_3889) from Chloroflexus aurantiacus in complex with isocitrate and 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 | 2018-02-25 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 31 |
| Unit cell lengths | 157.314, 157.314, 197.707 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.050 - 2.900 |
| R-factor | 0.179 |
| Rwork | 0.176 |
| R-free | 0.24640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e5b |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.689 |
| 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 | 2.950 |
| High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
| Rmerge | 0.112 | 0.062 | 0.301 |
| Rmeas | 0.135 | 0.074 | 0.376 |
| Rpim | 0.074 | 0.039 | 0.221 |
| Total number of observations | 331936 | ||
| Number of reflections | 115739 | 5905 | 5538 |
| <I/σ(I)> | 8 | ||
| Completeness [%] | 95.9 | 98 | 91.7 |
| Redundancy | 2.9 | 3.4 | 2.4 |
| CC(1/2) | 0.992 | 0.812 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 35% MPD, 0.1M sodium acetate/acetic acid pH4.5 |
