5YDJ
Crystal structure of anopheles gambiae acetylcholinesterase in complex with PMSF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 61 |
| Unit cell lengths | 147.650, 147.650, 224.180 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 61.480 - 3.040 |
| R-factor | 0.2528 |
| Rwork | 0.251 |
| R-free | 0.28638 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x61 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.172 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.480 | 3.120 |
| High resolution limit [Å] | 3.040 | 3.040 |
| Number of reflections | 51171 | |
| <I/σ(I)> | 24.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 22.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M HEPES BUFFER, 1.6M AMMONIUM SULFATE, PH 7.5, 277K |
