1CQP
CRYSTAL STRUCTURE ANALYSIS OF THE COMPLEX LFA-1 (CD11A) I-DOMAIN / LOVASTATIN AT 2.6 A RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1997-02-20 |
Detector | MAC Science DIP-2030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.700, 77.700, 91.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.600 |
R-factor | 0.19 |
Rwork | 0.190 |
R-free | 0.25700 |
RMSD bond length | 0.012 |
RMSD bond angle | 25.100 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.116 | 0.484 |
Total number of observations | 87179 * | |
Number of reflections | 16457 | |
<I/σ(I)> | 13.9 | |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 5.3 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 20 * | PEG 6000, HEPES, MAGNESIUM SULFATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | HEPES | 100 (mM) | |
2 | 1 | reservoir | PEG6000 | 30 (%(w/v)) |