1XDG
X-ray structure of LFA-1 I-domain in complex with LFA878 at 2.1A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1999-09-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.80074 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.900, 77.400, 92.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.100 |
R-factor | 0.19205 |
Rwork | 0.191 |
R-free | 0.21276 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cqp |
RMSD bond length | 0.014 |
RMSD bond angle | 1.375 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 8.000 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 29635 | |
<I/σ(I)> | 22.5 | 6.5 |
Completeness [%] | 98.8 | 99.8 |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | sodium citrate, ammonium acetate, glycerol, PEG4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |