4X9K
Beta-ketoacyl-acyl carrier protein synthase III-2 (FabH2)(C113A) from Vibrio cholerae
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 | 2013-10-09 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 85.459, 61.521, 69.676 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.610 |
R-factor | 0.153 |
Rwork | 0.152 |
R-free | 0.17630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wzu |
RMSD bond length | 0.008 |
RMSD bond angle | 1.311 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
High resolution limit [Å] | 1.610 | 4.370 | 1.610 |
Rmerge | 0.068 | 0.040 | 0.376 |
Rmeas | 0.075 | 0.045 | 0.430 |
Rpim | 0.032 | 0.020 | 0.205 |
Total number of observations | 237520 | ||
Number of reflections | 47520 | ||
<I/σ(I)> | 11.4 | ||
Completeness [%] | 98.3 | 94.3 | 87.3 |
Redundancy | 5 | 5 | 4 |
CC(1/2) | 0.997 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 0.2M Sodium malonate pH 7.0,20% (w/v) PEG 3350 |