6WSI
Intact cis-2,3-epoxysuccinic acid bound to Isocitrate Lyase-1 from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2019-04-06 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.170, 134.205, 161.036 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.048 - 1.749 |
| R-factor | 0.1651 |
| Rwork | 0.164 |
| R-free | 0.19560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f8i |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.048 | 1.800 |
| High resolution limit [Å] | 1.749 | 1.750 |
| Rmerge | 0.098 | 1.008 |
| Rmeas | 0.107 | |
| Rpim | 0.043 | |
| Number of reflections | 172875 | 12489 |
| <I/σ(I)> | 10.1 | 1 |
| Completeness [%] | 99.9 | |
| Redundancy | 5.9 | |
| CC(1/2) | 0.998 | 0.544 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 0.1 M Tris pH 8.0, 0.2 M NaAc, 25% PEG 4,000 |
