1JKM
BREFELDIN A ESTERASE, A BACTERIAL HOMOLOGUE OF HUMAN HORMONE SENSITIVE LIPASE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Detector | SIEMENS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 140.700, 82.600, 81.500 |
| Unit cell angles | 90.00, 112.50, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.850 |
| R-factor | 0.169 * |
| Rwork | 0.169 |
| R-free | 0.20600 |
| Structure solution method | MIR |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.400 * |
| Data reduction software | XENGEN |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX-90 |
| Refinement software | SHELX-90 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 1.850 | 1.850 * |
| Rmerge | 0.108 * | 0.497 * |
| Total number of observations | 206345 * | |
| Number of reflections | 62664 | |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 85.8 * | |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 * | drop contained equal volume of protein and reservoir solution * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 1.0 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 40 (%sat) | |
| 3 | 1 | reservoir | ammonium acetate | 100 (mM) | |
| 4 | 1 | reservoir | potassium phosphate | 5.0 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 0.5 (%(w/v)) |
