3IM9
Crystal structure of MCAT from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 4A |
Synchrotron site | PAL/PLS |
Beamline | 4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.157, 87.914, 43.237 |
Unit cell angles | 90.00, 104.00, 90.00 |
Refinement procedure
Resolution | 30.350 - 1.460 |
R-factor | 0.159 |
Rwork | 0.157 |
R-free | 0.18400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mla |
RMSD bond length | 0.028 |
RMSD bond angle | 2.208 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.510 |
High resolution limit [Å] | 1.460 | 1.460 |
Rmerge | 0.034 | 0.189 |
Total number of observations | 848806 | |
Number of reflections | 52963 | |
<I/σ(I)> | 31.1 | 2.7 |
Completeness [%] | 90.4 | 76.2 |
Redundancy | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 295 | 21-23% PEG 3350, 0.5-0.52M calcium acetate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K |