5DWM
Crystal structure of Phosphinothricin N-acetyltransferase from Brucella ovis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-18 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 |
Unit cell lengths | 51.110, 61.770, 77.030 |
Unit cell angles | 101.73, 92.29, 115.33 |
Refinement procedure
Resolution | 26.173 - 1.450 |
R-factor | 0.1424 |
Rwork | 0.141 |
R-free | 0.17280 |
Structure solution method | SAD |
Starting model (for MR) | iodide phased |
RMSD bond length | 0.005 |
RMSD bond angle | 0.762 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.490 |
High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
Rmerge | 0.047 | 0.020 | 0.475 |
Rmeas | 0.055 | 0.024 | 0.549 |
Total number of observations | 550962 | ||
Number of reflections | 140786 | 1555 | 10201 |
<I/σ(I)> | 20.96 | 56.39 | 3.23 |
Completeness [%] | 96.2 | 94.8 | 94.3 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | native data: Molecular dimensions Morpheus screen, F3: 10% w/v PEG 4000, 20% v/v glycerol, 20mM of each D-glucose, D-mannose, D-galactose, L-fucose, D-xylose, D-N-acetyld-glucosamine, 100mM MES/imidazole pH 6.5, BrovA.17352.a.B1.PS02313 at 4mg/ml, supplemented with 5mM Mg/AMPPNP, cryo: direct , tray 261581 f3, puck dka9-1, iodide data: crystals from the same well were soaked for 20sec in reservoir with 10% EG and 500mM NaI and then vitrified, tray 261581 f3, puck hml1 6-3, anomalous differences for the iodide data set are provided with the structure |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | native data: Molecular dimensions Morpheus screen, F3: 10% w/v PEG 4000, 20% v/v glycerol, 20mM of each D-glucose, D-mannose, D-galactose, L-fucose, D-xylose, D-N-acetyld-glucosamine, 100mM MES/imidazole pH 6.5, BrovA.17352.a.B1.PS02313 at 4mg/ml, supplemented with 5mM Mg/AMPPNP, cryo: direct , tray 261581 f3, puck dka9-1, iodide data: crystals from the same well were soaked for 20sec in reservoir with 10% EG and 500mM NaI and then vitrified, tray 261581 f3, puck hml1 6-3, anomalous differences for the iodide data set are provided with the structure |