4DCV
Crystal Structure of B. subtilis EngA in complex with GMPPCP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.873 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.493, 66.191, 111.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.910 - 2.600 |
R-factor | 0.18965 |
Rwork | 0.181 |
R-free | 0.26780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hjg |
RMSD bond length | 0.009 |
RMSD bond angle | 1.453 |
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] | 57.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.110 | 0.519 |
Number of reflections | 14095 | |
<I/σ(I)> | 11.4 | 4.1 |
Completeness [%] | 95.1 | 96.3 |
Redundancy | 4.2 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 8% PEG 3350, 100 mM MES, 300 mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.5 |