6HZP
Crystal structure of a POT family transporter in complex with 5-aminolevulinic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-08 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.872899 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.030, 57.060, 99.500 |
| Unit cell angles | 90.00, 104.98, 90.00 |
Refinement procedure
| Resolution | 36.760 - 2.500 |
| R-factor | 0.221 |
| Rwork | 0.220 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6exs |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.850 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.060 | 49.060 | 2.600 |
| High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
| Rmerge | 0.147 | 0.040 | 1.376 |
| Rmeas | 0.159 | 0.044 | 1.493 |
| Rpim | 0.062 | 0.017 | 0.573 |
| Total number of observations | 150287 | 3217 | 17021 |
| Number of reflections | 22767 | 525 | 2563 |
| <I/σ(I)> | 8.9 | 31 | 1.3 |
| Completeness [%] | 99.9 | 99.4 | 100 |
| Redundancy | 6.6 | 6.1 | 6.6 |
| CC(1/2) | 0.998 | 0.999 | 0.635 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 5 | 293 | 26-27% (v/v) PEG 200, 220 mM (NH4)2HPO4, and 110 mM sodium citrate (pH 5.0). Ligand: 40mM 5-aminolevulinic acid |
