1GAJ
CRYSTAL STRUCTURE OF A NUCLEOTIDE-FREE ATP-BINDING CASSETTE FROM AN ABC TRANSPORTER
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 130 |
| Detector technology | CCD |
| Collection date | 2000-06-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.06884 |
| Spacegroup name | P 4 3 2 |
| Unit cell lengths | 137.520, 137.520, 137.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.000 - 2.500 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 * |
| RMSD bond angle | 1.660 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.610 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.430 |
| Number of reflections | 13129 | |
| <I/σ(I)> | 44.16 | |
| Completeness [%] | 82.3 | 69 |
| Redundancy | 39.9 | 19 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 21 * | HEPES-Cl, (NH4)2SO4, PEG 400, T-butanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | dithiothreitol | 2 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 1.2 (M) | |
| 4 | 1 | reservoir | t-butanol | 4 (%(v/v)) | |
| 5 | 1 | reservoir | PEG400 | 1.8 (%(v/v)) | |
| 6 | 1 | reservoir | HEPES-Cl | 90 (mM) |
