1JA1
CYPOR-Triple Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-11-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 101.437, 115.159, 118.547 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.160 - 1.800 |
| R-factor | 0.208 * |
| Rwork | 0.208 |
| R-free | 0.23400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1amo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.047 | 0.285 |
| Total number of observations | 1504516 * | |
| Number of reflections | 120472 | |
| <I/σ(I)> | 34.4 | 3.4 |
| Completeness [%] | 93.3 | 70.8 |
| Redundancy | 11.6 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 4000, Hepes, Sodium Acetate, NADP+, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 18 (%) | |
| 2 | 1 | reservoir | HEPES | 150 (mM) | pH7.0 |
| 3 | 1 | reservoir | 150 (mM) | ||
| 4 | 1 | reservoir | NADP+ | 2-fold molar excess of | |
| 5 | 1 | drop | HEPES | 50 (mM) | pH7.0 |
| 6 | 1 | drop | EDTA | 0.1 (mM) | |
| 7 | 1 | drop | dithiothreitol | 0.1 (mM) | |
| 8 | 1 | drop | protein | 20 (mg/ml) |
