6CK0
Crystal Structure of Biotin Acetyl Coenzyme A Carboxylase Synthetase from Helicobacter pylori with bound Biotinylated ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-24 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 |
Unit cell lengths | 52.890, 57.080, 57.030 |
Unit cell angles | 122.14, 94.73, 107.85 |
Refinement procedure
Resolution | 47.950 - 2.250 |
R-factor | 0.1752 |
Rwork | 0.171 |
R-free | 0.22070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l1a |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MR-Rosetta |
Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.950 | 47.950 | 2.310 |
High resolution limit [Å] | 2.250 | 10.060 | 2.250 |
Rmerge | 0.048 | 0.022 | 0.452 |
Rmeas | 0.055 | 0.026 | 0.523 |
Total number of observations | 93167 | ||
Number of reflections | 23767 | 270 | 1625 |
<I/σ(I)> | 18.29 | 42.16 | 3.43 |
Completeness [%] | 97.1 | 95.7 | 89.4 |
Redundancy | 3.92 | 3.648 | 3.958 |
CC(1/2) | 0.999 | 0.999 | 0.937 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 290 | HepyC.19466.a.B1.PS38345 at 23.36 mg/ml was incubated with 6 mM MgCl2, ATP, and biotin, then mixed 1:1 with JCSG+(b1): 0.1 M sodium citrate tribasic/ citric acid, pH=4.0, 0.8 M ammonium sulfate. Crystal cryoprotected with 25% ethylene glycol. Tray: 295125b1, puck: xga0-9 |