3HJV
1.7 Angstrom resolution crystal structure of an acyl carrier protein S-malonyltransferase from Vibrio cholerae O1 biovar eltor str. N16961
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 | 2009-03-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.525, 87.789, 121.957 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.480 - 1.700 |
R-factor | 0.14764 |
Rwork | 0.145 |
R-free | 0.19314 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.489 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXCD |
Refinement software | REFMAC (5.5.0051) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.081 | 0.498 |
Number of reflections | 105566 | |
<I/σ(I)> | 26.27 | 2.48 |
Completeness [%] | 98.9 | 92.8 |
Redundancy | 4.2 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 11 | 295 | The home made "Pioneer" screen, condition 11, mixed at 1:1 v/v ratio with protein sample (16 mg/mL, 0.3 M NaCl and 0.5 mM TCEP, 10mM Hepes pH 7.5), VAPOR DIFFUSION, SITTING DROP, temperature 295K |