4DCS
Crystal Structure of B. subtilis EngA in complex with sulfate ion and GDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.282 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.300, 65.790, 111.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.930 - 2.250 |
R-factor | 0.21915 |
Rwork | 0.214 |
R-free | 0.26692 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hjg |
RMSD bond length | 0.007 |
RMSD bond angle | 1.147 |
Data reduction software | XDS (package) |
Data scaling software | XDS (package) |
Phasing software | AMoRE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.350 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.102 | 0.406 |
Number of reflections | 22133 | |
<I/σ(I)> | 13 | 5 |
Completeness [%] | 97.3 | 92.1 |
Redundancy | 6.9 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 4% to 10% PEG 3350 v/w, 100 mM Mes, 300 mM amonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |