3BQM
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 | 2002-01-01 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 73.535, 70.505, 72.558 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.710 - 1.950 |
R-factor | 0.23588 |
Rwork | 0.233 |
R-free | 0.28386 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.308 |
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] | 1.950 |
Number of reflections | 27189 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 273 | 5% Peg400, 20% Peg3350, 50mM K2HPO4 pH 4.5, 10mM MgCl, 1mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 273K |