5V0P
Crystal Structure of Beta-ketoacyl-ACP synthase III-2 (FabH2) (C113A) from Vibrio Cholerae co-crystallized with octanoyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-20 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.2861 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 85.317, 61.887, 75.734 |
Unit cell angles | 90.00, 93.18, 90.00 |
Refinement procedure
Resolution | 50.010 - 2.160 |
R-factor | 0.17543 |
Rwork | 0.174 |
R-free | 0.20660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wzu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.420 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.010 | 2.200 |
High resolution limit [Å] | 2.160 | 2.160 |
Rmerge | 0.057 | 0.130 |
Rpim | 0.037 | 0.094 |
Number of reflections | 42343 | 2084 |
<I/σ(I)> | 38 | 12 |
Completeness [%] | 99.3 | 98.5 |
Redundancy | 3.2 | 2.6 |
CC(1/2) | 0.977 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 0.1M HEPES PH 7.5, 30% (W/V) PEG 400 |