6T7P
human plasmakallikrein protease domain in complex with active site directed inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-28 |
Detector | MARRESEARCH |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.100, 59.150, 86.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.126 - 1.416 |
R-factor | 0.1542 |
Rwork | 0.152 |
R-free | 0.18780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2any |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP (8.2.01) |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.126 | 1.421 |
High resolution limit [Å] | 1.416 | 1.416 |
Rmerge | 0.049 | 0.549 |
Rmeas | 0.057 | 0.639 |
Rpim | 0.027 | 0.417 |
Number of reflections | 56111 | 1920 |
<I/σ(I)> | 15.4 | 2.1 |
Completeness [%] | 99.1 | 93.3 |
Redundancy | 4.3 | 3.6 |
CC(1/2) | 0.999 | 0.847 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG10000, 200 mM Sodium phosphate (monobasic), corresponds to Nextal condition #87 from PEG series |