7CMX
Isocitrate lyase from Bacillus cereus ATCC 14579
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 | 2020-04-09 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.920, 123.539, 170.688 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.170 - 1.790 |
| R-factor | 0.1775 |
| Rwork | 0.175 |
| R-free | 0.21740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i4e |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.561 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.820 |
| High resolution limit [Å] | 1.790 | 4.860 | 1.790 |
| Rmerge | 0.124 | 0.077 | 0.356 |
| Rmeas | 0.132 | 0.080 | 0.412 |
| Rpim | 0.045 | 0.024 | 0.197 |
| Total number of observations | 962437 | ||
| Number of reflections | 141236 | 7713 | 6633 |
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 96.1 | 98.8 | 91.3 |
| Redundancy | 6.8 | 10.2 | 3.5 |
| CC(1/2) | 0.996 | 0.279 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16% PEG3350, 4% Tacsimate pH 5.0 |
