1KEQ
Crystal Structure of F65A/Y131C Carbonic Anhydrase V, covalently modified with 4-chloromethylimidazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9796 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.299, 66.703, 92.563 |
| Unit cell angles | 90.00, 105.70, 90.00 |
Refinement procedure
| Resolution | 25.000 * - 1.880 |
| R-factor | 0.191 * |
| Rwork | 0.185 |
| R-free | 0.22200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dmx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.920 |
| High resolution limit [Å] | 1.880 * | 1.850 |
| Rmerge | 0.051 | 0.217 |
| Total number of observations | 141410 * | |
| Number of reflections | 46312 * | |
| <I/σ(I)> | 13.1 | 3 |
| Completeness [%] | 96.8 * | 87.9 * |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | PEG 8000, sodium acetate, DTT, sucrose monolaurate, MES, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | drop | sucrose monolaurate | 1.2 (mM) | |
| 3 | 1 | reservoir | PEG8000 | 12 (%) | |
| 4 | 1 | reservoir | MES | 100 (mM) | pH6.7 |
| 5 | 1 | reservoir | sodium acetate | 100 (mM) | |
| 6 | 1 | reservoir | dithiothreitol | 1 (mM) |
