Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-07-28 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.857 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 144.338, 144.338, 128.204 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.090 - 2.400 |
| R-factor | 0.17767 |
| Rwork | 0.177 |
| R-free | 0.22177 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1LLU.PDB |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.861 |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.400 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.116 | 0.418 |
| Number of reflections | 59662 | |
| <I/σ(I)> | 8 | 3.5 |
| Completeness [%] | 98.5 | 93.3 |
| Redundancy | 3.85 | 3.71 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 278 | 125 MM SODIUM N-TRIS(HYDROXYMETHYL) METHYL-3-AMINOPROPANE SULFONIC ACID, 1.7 MM NICOTINAMIDE 8- IODOADENINE DINUCLEOTIDE, 0.1 M 2,2,2-TRIFLUOROETHANOL, 0.16 MM EDTA, 10 MG/ML PROTEIN, 6% INITIAL POLYETHYLENE GLYCOL 5000 MONOMETHYL ETHER (FLUKA MPEG5000) IN DROP HANGING OVER 22-26% MPEG5000 AND 0.1 M 2,2,2-TRIFLUOROETHANOL. CRYSTALS WERE SOAKED IN SAME BUFFER WITH 30% W/V MPEG5000 WITH 0.5 M 2,2,2- TRIFLUOROETHANOL FOR FIVE DAYS BEFORE FREEZING AT 100 K., PH 8.4, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 278K, PH 8.40 |
