4BBZ
Structure of human butyrylcholinesterase inhibited by CBDP (2-min soak): Cresyl-phosphoserine adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-15 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 154.680, 154.680, 126.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.688 - 2.700 |
| R-factor | 0.1693 |
| Rwork | 0.166 |
| R-free | 0.22480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p0i |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.269 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.700 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.070 | 0.460 |
| Number of reflections | 21049 | |
| <I/σ(I)> | 29 | 5.2 |
| Completeness [%] | 98.1 | 99 |
| Redundancy | 10.1 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | PROTEIN WAS CRYSTALLIZED FROM 2.1 M AMMONIUM SULFATE, 0.1 M MES BUFFER PH 6.5. |
