7DOZ
HIV-1 Protease D30N mutant in complex with Nelfinavir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979778 |
Spacegroup name | P 61 |
Unit cell lengths | 62.050, 62.050, 81.460 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.870 - 1.910 |
R-factor | 0.1848 |
Rwork | 0.182 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kt2 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.976 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.870 | 2.010 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.077 | 0.510 |
Number of reflections | 13778 | 1951 |
<I/σ(I)> | 12.46 | |
Completeness [%] | 99.5 | |
Redundancy | 4.27 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 2% saturated Ammonium Sulfate, 200/100 mM phosphate citrate buffer, |