7CMY
Isocitrate lyase from Bacillus cereus ATCC 14579 in complex with Magnessium ion, glyoxylate, and succinate
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 | 2020-07-16 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 94.910, 94.910, 196.156 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.280 - 2.500 |
| R-factor | 0.2007 |
| Rwork | 0.196 |
| R-free | 0.28310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i4e |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.672 |
| 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 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.178 | 0.068 | 1.201 |
| Rmeas | 0.199 | 0.079 | 1.330 |
| Rpim | 0.086 | 0.038 | 0.556 |
| Total number of observations | 168058 | ||
| Number of reflections | 31543 | 1621 | 1549 |
| <I/σ(I)> | 7.7 | ||
| Completeness [%] | 98.3 | 90 | 99.3 |
| Redundancy | 5.3 | 4.2 | 5.5 |
| CC(1/2) | 0.994 | 0.625 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50% PEG 400, 100mM CHES pH 9.5, 200mM NaCl |
