4CGK
Crystal structure of the essential protein PcsB from Streptococcus pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 125.815, 125.815, 126.637 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.630 - 2.550 |
R-factor | 0.23933 |
Rwork | 0.238 |
R-free | 0.27173 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.005 |
RMSD bond angle | 0.834 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.630 | 2.660 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.080 | 0.640 |
Number of reflections | 38172 | |
<I/σ(I)> | 11.9 | 2.9 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 10.6 | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | CRYSTALS GREW IN 2UL DROPLETS FORMED BY MIXING 1 UL OF PROTEIN SOLUTION AT 10 MG ML-1 (BUFFERED IN 20 MM TRIS-HCL PH 7.5) AND 1 UL L OF PRECIPITANT SOLUTION FORMED BY 12% (V/V) POLYETHYLENGLYCOL 4000, 0.1M HEPES PH 7.5, 0.2M MAGNESIUM ACETATE IN 1:1 VOLUME RATIO |