3DAQ
Crystal structure of dihydrodipicolinate synthase from methicillin-resistant Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-10 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9536 |
Spacegroup name | P 1 |
Unit cell lengths | 65.410, 67.573, 77.998 |
Unit cell angles | 90.13, 68.85, 72.29 |
Refinement procedure
Resolution | 30.250 - 1.450 |
R-factor | 0.13371 |
Rwork | 0.132 |
R-free | 0.16084 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yxc |
RMSD bond length | 0.007 |
RMSD bond angle | 1.271 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.250 | 1.530 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.057 | 0.147 |
Number of reflections | 190869 | |
<I/σ(I)> | 18.8 | 8.4 |
Completeness [%] | 91.4 | 71.9 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 281 | 16.7% PEG6000, NaF 135mM, LiCl 296mM, NaAC 100mM, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 281K |