1CQ4
CI2 MUTANT WITH TETRAGLUTAMINE (MGQQQQGM) REPLACING MET59
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-06-24 |
| Detector | MARRESEARCH |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 68.267, 68.267, 60.833 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.000 - 1.800 |
| Rwork | 0.240 |
| R-free | 0.30000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ci2 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.034 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.300 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.074 * | 0.286 * |
| Total number of observations | 86441 * | |
| Number of reflections | 8153 | |
| <I/σ(I)> | 3.6 | 2.3 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 10.6 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 4 * | DROPS WERE PREPARED BY MIXING 2 MICROLITERS OF PURIFIED DIMER AT 25MG/ML WITH AN EQUAL VOLUME OF BUFFER (30% W/V PEG-400, 1.0 M LITHIUM SULPHATE, AND 1 MM CALCIUM CHLORIDE, IN 0.1 M TRIS-HCL AT PH 7.5), WHICH WAS ALSO USED AS THE WELL BUFFER (1 ML). |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 25 (mg/ml) | |
| 2 | 1 | reservoir | PEG400 | 30 (%(w/v)) | |
| 3 | 1 | reservoir | lithium sulfate | 1.0 (M) | |
| 4 | 1 | reservoir | calcium chloride | 1 (mM) | |
| 5 | 1 | reservoir | Tris-HCl | 0.1 (M) |
