2ALM
Crystal structure analysis of a mutant beta-ketoacyl-[acyl carrier protein] synthase II from Streptococcus pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-07 |
Detector | MARRESEARCH |
Wavelength(s) | 1.01259 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 60.393, 88.820, 61.048 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.600 |
R-factor | 0.229 |
Rwork | 0.195 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ox0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.316 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.080 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.111 | 0.472 |
Number of reflections | 10534 | |
<I/σ(I)> | 5.7 | 1.6 |
Completeness [%] | 99.5 | 99.2 |
Redundancy | 4.6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 20% PEG 3350, 0.2M Potassium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |