3FSM
CRYSTAL STRUCTURE OF A CHEMICALLY SYNTHESIZED 203 AMINO ACID 'COVALENT DIMER' [L-Ala51,D-Ala51'] HIV-1 PROTEASE MOLECULE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2007-02-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.472, 58.286, 61.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.23500 |
| Starting model (for MR) | 2o40 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.634 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.079 | 0.677 |
| Number of reflections | 25109 | |
| <I/σ(I)> | 22.636 | 2.9 |
| Completeness [%] | 99.8 | 98.3 |
| Redundancy | 4.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1M CITRATE, 0.2M SODIUM PHOPHATE, 30% (W/V) AMMONIUM SULFATE, 10% (V/V) DMSO , pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
