3LIN
crystal structure of HTLV protease complexed with the inhibitor, KNI-10562
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-31 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 134.360, 77.308, 159.170 |
Unit cell angles | 90.00, 95.09, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.960 |
R-factor | 0.21438 |
Rwork | 0.213 |
R-free | 0.26225 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2b7f |
RMSD bond length | 0.016 |
RMSD bond angle | 1.785 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 1.960 | 1.960 |
Number of reflections | 112737 | |
<I/σ(I)> | 24.9 | 3.1 |
Completeness [%] | 97.1 | 79.3 |
Redundancy | 3.1 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | 26% Pentaerythritol ethoxylate, 0.2M ZnSO4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |