5ZWT
Crystal structure of the S37A mutant of apo-acyl carrier protein from Leishmania major
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-27 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.979490 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 83.506, 83.506, 99.584 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.993 - 2.000 |
| R-factor | 0.2362 |
| Rwork | 0.234 |
| R-free | 0.27210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x3o |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.877 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.750 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.065 | 0.956 |
| Rpim | 0.021 | 0.303 |
| Number of reflections | 11845 | 886 |
| <I/σ(I)> | 21.7 | |
| Completeness [%] | 96.7 | 100 |
| Redundancy | 10.6 | 10.9 |
| CC(1/2) | 1.000 | 0.819 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 294 | 0.1M HEPES, pH 7.5, 2.0M ammonium sulphate |
