6R6U
Crystal structure of human cis-aconitate decarboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-14 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 102.010, 109.980, 74.974 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.412 - 1.705 |
| R-factor | 0.1456 |
| Rwork | 0.145 |
| R-free | 0.16240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hp3 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.970 | 1.711 |
| High resolution limit [Å] | 1.705 | 1.705 |
| Rmerge | 0.084 | 1.319 |
| Rmeas | 0.088 | 1.141 |
| Rpim | 0.024 | 0.312 |
| Total number of observations | 1231558 | 175990 |
| Number of reflections | 92409 | 13315 |
| <I/σ(I)> | 22.6 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.3 | 13.1 |
| CC(1/2) | 1.000 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.7 | 293 | 0.1 M Tris-HCl pH 8.7, 1.2 M Na3-citrate |
