2UXZ
Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-5 |
Synchrotron site | MAX II |
Beamline | I911-5 |
Temperature [K] | 108 |
Detector technology | CCD |
Collection date | 2006-10-21 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.160, 86.660, 46.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.760 - 1.750 |
Rwork | 0.202 |
R-free | 0.21300 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.014 |
RMSD bond angle | 1.740 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.760 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.060 | 0.140 |
Number of reflections | 293533 | |
<I/σ(I)> | 8 | 5.2 |
Completeness [%] | 86.9 | 85.8 |
Redundancy | 4.2 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 0.7 M NACL, 100 MM MES PH5.0 |