4TX1
The crystal structure of carbohydrate acetylesterase family member from Sinorhizobium meliloti
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 126.238, 126.238, 191.101 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.610 - 1.750 |
| R-factor | 0.1564 |
| Rwork | 0.155 |
| R-free | 0.18840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q0q |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.070 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
| Rmerge | 0.059 | 0.034 | 0.468 |
| Total number of observations | 1076704 | ||
| Number of reflections | 77446 | ||
| <I/σ(I)> | 15.5 | ||
| Completeness [%] | 99.8 | 98.6 | 98.5 |
| Redundancy | 13.9 | 13.6 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 285 | Crystal Screen I No. 44 0.2 M magnesium formate dehydrate |
