1KZK
JE-2147-HIV Protease Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-03-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.203, 58.409, 62.858 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.090 |
| R-factor | 0.152 |
| Rwork | 0.151 |
| R-free | 0.18850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Poly Serine PDB ENTRY 1HPX |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.035 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.640 | 1.110 |
| High resolution limit [Å] | 1.090 | 1.090 |
| Rmerge | 0.104 * | 0.753 * |
| Total number of observations | 433956 * | |
| Number of reflections | 79223 | |
| <I/σ(I)> | 10.5 | 1.1 |
| Completeness [%] | 93.4 * | 61.8 |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 25 * | NaAc, NaCl, EDTA, DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 20 (mM) | pH5.4 | |
| 2 | 1 | drop | 50 (mM) | ||
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | protein | 0.200 (mM) | |
| 6 | 1 | reservoir | 1.5 (M) | ||
| 7 | 1 | reservoir | 20 (mM) | pH7.0 | |
| 8 | 1 | reservoir | EDTA | 1 (mM) | |
| 9 | 1 | reservoir | dithiothreitol | 1 (mM) |
