2NZM
Hexasaccharide I bound to Bacillus subtilis pectate lyase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.91300 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.736, 68.919, 59.408 |
| Unit cell angles | 90.00, 113.09, 90.00 |
Refinement procedure
| Resolution | 45.360 - 1.800 |
| R-factor | 0.15622 |
| Rwork | 0.155 |
| R-free | 0.18503 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.050 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.680 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.054 | 0.117 |
| Number of reflections | 34508 | |
| <I/σ(I)> | 19.7 | 11.1 |
| Completeness [%] | 98.9 | 98.4 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1M Sodium citrate, 0.2M Ammonium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
