2UUJ
Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 70.049, 71.580, 72.052 |
Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
Resolution | 35.780 - 1.320 |
R-factor | 0.153 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2uuf |
RMSD bond length | 0.017 |
RMSD bond angle | 0.031 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC (5) |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.780 | 1.390 |
High resolution limit [Å] | 1.320 | 1.320 |
Rmerge | 0.080 | 0.360 |
Number of reflections | 71295 | |
<I/σ(I)> | 12.75 | 2.32 |
Completeness [%] | 86.9 | 100 |
Redundancy | 5.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | CRYSTALLIZATION CONDITIONS: CRYSTALS WERE GROWN BY MACROSEEDING A SOLUTION OF 100MM HEPES PH 7.0, 28% PEG4K, 500MM NACL. |