3LM1
Crystal Structure Analysis of Maclura pomifera agglutinin complex with p-nitrophenyl-GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-06-30 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.090, 133.290, 200.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jot |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.800 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.039 | 0.290 |
| Number of reflections | 122330 | |
| <I/σ(I)> | 24.7 | 4.5 |
| Completeness [%] | 83.8 | 46.6 |
| Redundancy | 3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.5M of lithium sulfate, 12% PEG 8000, 1% octyl-beta-D-glucopyranoside, 0.1M Hepes, pH 7.0 in the reservoir solution. The sitting drop is made by protein (28mg/mL) and equal volumn of reservoir solution in the presence of p-nitrophenyl-alpha-GalNAc., VAPOR DIFFUSION, SITTING DROP, temperature 298K |
