3BQN
LFA-1 I domain bound to inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-08-30 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 73.425, 70.119, 72.457 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.560 - 1.800 |
R-factor | 0.20468 |
Rwork | 0.202 |
R-free | 0.25214 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.162 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 35.000 |
High resolution limit [Å] | 1.800 |
Rmerge | 0.107 |
Number of reflections | 34005 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 5% Peg400, 20% Peg3350, 50mM K2HPO4 pH 4.5, 10mM MgCl2, 1mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 298K |