4AB1
Recombinant Human Carboxylesterase 1 from whole Cabbage Loopers
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 114.843, 114.843, 177.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.880 - 2.200 |
| R-factor | 0.18141 |
| Rwork | 0.178 |
| R-free | 0.23578 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hrq |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.979 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.120 | 0.650 |
| Number of reflections | 35646 | |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 16.8 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | DROP WAS 45% PROTEIN SOLUTION (11MG/ML) OF 50 MM TRIS, PH7.6, 150 MM NACL, MIXED WITH 45% 2 M AMMONIUM SULFATE, 0.1 M BIS-TRIS, PH 5.5, AND 10% 2 M NASCN. |
