2XMB
G117H mutant of human butyrylcholinesterase in complex with sulfate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-10 |
Detector | ADSC CCD |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 154.800, 154.800, 134.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.660 - 2.100 |
R-factor | 0.16886 |
Rwork | 0.168 |
R-free | 0.20793 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p0i |
RMSD bond length | 0.024 |
RMSD bond angle | 2.182 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.600 | 2.400 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.060 | 0.360 |
Number of reflections | 47525 | |
<I/σ(I)> | 21.3 | 5.7 |
Completeness [%] | 99.5 | 99 |
Redundancy | 6.4 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | AMMONIUM SULFATE 2.1 M, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID 0.1 M, PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K |