3RLW
Human Thrombin in complex with MI328
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 105 |
Detector technology | CCD |
Collection date | 2009-08-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 70.500, 71.300, 72.500 |
Unit cell angles | 90.00, 100.60, 90.00 |
Refinement procedure
Resolution | 34.648 - 1.690 |
R-factor | 0.1641 |
Rwork | 0.163 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h8d |
RMSD bond length | 0.008 |
RMSD bond angle | 1.060 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.720 |
High resolution limit [Å] | 1.690 | 1.690 |
Number of reflections | 38822 | |
<I/σ(I)> | 14.6 | 2 |
Completeness [%] | 97.7 | 98.8 |
Redundancy | 2.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277.15 | 15% PEG 8000, 20mM sodium phosphate, 175mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |