2J4C
Structure of human Butyrylcholinesterase in complex with 10mM HgCl2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU R-AXIS IV |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-01-26 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 153.760, 153.760, 128.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.390 - 2.750 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p0i |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.070 | 0.420 |
| Number of reflections | 35972 | |
| <I/σ(I)> | 20.97 | 4.29 |
| Completeness [%] | 93.9 | 97.8 |
| Redundancy | 4.36 | 4.51 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | AMMONIUM SULFATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PH 6.5, VAPOR DIFFUSION, HANGING DROP,TEMPERATURE 298.0K |
