3EDX
Crystal structure of the W215A/E217A mutant of murine thrombin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 97.716, 105.760, 176.811 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.780 - 2.400 |
R-factor | 0.214 |
Rwork | 0.214 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tq0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP (from ccp4) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.059 | 0.461 |
Number of reflections | 67622 | |
<I/σ(I)> | 21.2 | 2.5 |
Completeness [%] | 94.5 | 79.9 |
Redundancy | 5.6 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 295 | 0.2M NA2SO4, 20 % PEG 3350, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |