2H7C
Crystal structure of human carboxylesterase in complex with Coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Collection date | 2001-03-01 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.990, 115.370, 175.530 |
| Unit cell angles | 90.00, 90.05, 90.00 |
Refinement procedure
| Resolution | 29.100 - 2.000 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mx1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.130 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 233023 | |
| <I/σ(I)> | 12.7 | 2.9 |
| Completeness [%] | 97.1 | 88.1 |
| Redundancy | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 8% PEG 3350, 0.4M Li2SO4, 0.1M NaCl, 0.1M LiCl, 0.1M citrate (pH 5.5), 5% glycerol, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
