1PE9
MUTATIONS IN THE T1.5 LOOP OF PECTATE LYASE A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 101.797, 154.040, 51.129 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 1.600 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.21320 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jta |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.097 * | 0.202 * |
| Total number of observations | 564358 * | |
| Number of reflections | 100459 | |
| <I/σ(I)> | 29.61 | 4.9 |
| Completeness [%] | 94.1 | 71.2 |
| Redundancy | 5.62 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 * | PEG 5000 Monomethyl Ether, 2-[N-Morpholino]Ethanesulfonic Acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG5000 MME | 17.6-20 (%) | |
| 2 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
| 3 | 1 | drop | protein | 8.72 (mg/ml) | |
| 4 | 1 | drop | PEG5000 MME | 2.9-3.3 (%) | |
| 5 | 1 | drop | MES | 0.02 (M) | pH6.5 |
