6KMA
Crystal structure of SucA with glycolaldehyde-1-13C from Vibrio vulnificus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 |
Unit cell lengths | 76.820, 84.559, 145.218 |
Unit cell angles | 79.51, 88.47, 89.92 |
Refinement procedure
Resolution | 47.648 - 2.282 |
R-factor | 0.2009 |
Rwork | 0.200 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jgd |
RMSD bond length | 0.002 |
RMSD bond angle | 0.575 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.280 | 2.300 |
Rpim | 0.108 | 0.530 |
Number of reflections | 148472 | 7303 |
<I/σ(I)> | 6.2 | |
Completeness [%] | 91.4 | |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 220 mM calcium acetate, 100mM 2-(Bis(2-hydroxyethyl)amino)acetic acid (BICINE), 50% (v/v) PEG300, 0.1 mM ThDP, 0.1 mM MgCl2 |