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 |