1DAZ
Structural and kinetic analysis of drug resistant mutants of HIV-1 protease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-10-14 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.239, 58.192, 61.215 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.550 |
| R-factor | 0.213 |
| Rwork | 0.213 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 26.420 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.600 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.054 | 0.133 |
| Number of reflections | 27073 | |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 99.4 | 93.9 |
| Redundancy | 6.4 | 5.96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.6 | 297 | CITRATE/PHOSPHATE BUFFER 0.05M, DTT 10MM, DMSO 10%, SATURATED AMMONIUM SULPHATE 25-50%, PROTEIN 2-5 MG/ML, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4.5-8.0 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 20-50 (mM) | |
| 3 | 1 | reservoir | sodium citrate | 0.25 (M) | |
| 4 | 1 | reservoir | sodium phosphate | 0.5 (M) | |
| 5 | 1 | reservoir | ammonium sulfate | 20-45 (%sat) |
