2H26
human CD1b in complex with endogenous phosphatidylcholine and spacer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-04 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9756 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.828, 103.898, 114.829 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.20729 |
Rwork | 0.205 |
R-free | 0.24101 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gzp |
RMSD bond length | 0.016 |
RMSD bond angle | 1.608 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.720 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.068 | 0.198 |
Number of reflections | 43311 | |
<I/σ(I)> | 11.8 | 3.5 |
Completeness [%] | 96.4 | 85.5 |
Redundancy | 3.5 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 1.5 M ammonium sulfate 5 % (v/v) isopropanol 0.1 M Na citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |