1MWT
Structure of penicillin G acyl-Penicillin binding protein 2a from methicillin resistant Staphylococcus aureus strain 27r at 2.45 A resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-01-25 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.545, 103.272, 186.825 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 * - 2.450 |
R-factor | 0.233 |
Rwork | 0.233 |
R-free | 0.29600 * |
RMSD bond length | 0.006 |
RMSD bond angle | 22.400 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.500 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.049 * | 0.207 * |
Number of reflections | 56624 | |
<I/σ(I)> | 18.9 | 5.3 |
Completeness [%] | 97.4 | 94.4 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 18 * | CdCl2, PEG550MME, HEPES, NaCl, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | reservoir | PEG550 MME | 20 (%(v/v)) | |
3 | 1 | reservoir | 0.88 (M) | ||
4 | 1 | reservoir | HEPES | 100 (mM) | pH7. |
5 | 1 | reservoir | 16 (mM) |