3OTS
MDR769 HIV-1 protease complexed with MA/CA hepta-peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 173 |
Detector technology | CCD |
Collection date | 2008-08-09 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0332 |
Spacegroup name | P 41 |
Unit cell lengths | 45.774, 45.774, 102.074 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.000 - 1.700 |
R-factor | 0.19355 |
Rwork | 0.192 |
R-free | 0.21782 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.461 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.770 | 33.900 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Number of reflections | 22986 | ||
Completeness [%] | 99.7 | 98 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | 0.8M NaCl 01 M MES , pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |