2WPK
factor IXa superactive triple mutant, ethylene glycol-soaked
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-02-20 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.070, 66.530, 96.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.620 - 2.210 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wph |
RMSD bond length | 0.008 |
RMSD bond angle | 1.460 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNS (1.21) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.600 | 2.300 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.070 | 0.260 |
Number of reflections | 14747 | |
<I/σ(I)> | 22.9 | 6.7 |
Completeness [%] | 99.7 | 86.6 |
Redundancy | 6.8 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 22 % PEG 3000 100 MM BIS/TRIS PH 6.85 |