1CXL
COMPLEX BETWEEN A COVALENT INTERMEDIATE AND BACILLUS CIRCULANS STRAIN 251 CGTASE E257Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 117.071, 109.281, 65.335 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.810 |
| R-factor | 0.155 * |
| Rwork | 0.155 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cxi |
| RMSD bond length | 0.006 |
| RMSD bond angle | 16.120 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.540 | 1.830 |
| High resolution limit [Å] | 1.810 | 1.810 * |
| Rmerge | 0.053 | 0.279 |
| Number of reflections | 73264 | |
| <I/σ(I)> | 13.1 | 3 |
| Completeness [%] | 94.9 | 49.9 |
| Redundancy | 3.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.5 * | Lawson, C.L., (1990) J.Mol.Biol., 214, 807. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 28.7 (mg/ml) | |
| 2 | 1 | drop | ammonium acetate | 50 (mM) | |
| 3 | 1 | drop | alpha-cyclodextrin | 50 (mg/ml) | |
| 4 | 1 | reservoir | MPD | 60 (%(v/v)) | |
| 5 | 1 | reservoir | sodium Hepes | 100 (mM) |
