6FQB
MurT/GatD peptidoglycan amidotransferase complex from Streptococcus pneumoniae R6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 193.15 |
Detector technology | PIXEL |
Collection date | 2014-11-28 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.96500 |
Spacegroup name | H 3 |
Unit cell lengths | 288.430, 288.430, 115.100 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 3.000 |
R-factor | 0.19315 |
Rwork | 0.189 |
R-free | 0.22809 |
Structure solution method | SIRAS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.544 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHARP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.180 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 68725 | 11055 |
<I/σ(I)> | 15.4 | 2.6 |
Completeness [%] | 96.2 | 96.6 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293.15 | 0.2 M tri-sodium citrate pH 6.1 14% PEG 3350 4 mM NiSO4 |