4OGX
Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.4 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-21 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 109.610, 171.500, 42.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.120 - 2.400 |
R-factor | 0.188 |
Rwork | 0.185 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2any |
RMSD bond length | 0.012 |
RMSD bond angle | 1.464 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.450 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.112 | 0.477 |
Number of reflections | 32218 | 426 |
<I/σ(I)> | 15.74 | 2.9 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 6.7 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | FAB DX-2930 AND HUMAN PLASMA KALLIKREIN VCID 7481 AT 150 UM OR 11.7 MG/ML AGAINST WIZ3-4 screen condition H7, 30% MPD, 10% PEG 3350, 0.1 M imidazole pH 6.5, 0.2 M ammonium sulfate, unique puck ID QJO1-12, crystal tracking ID 242118H7 , VAPOR DIFFUSION, SITTING DROP, temperature 289K |