Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-27 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.3050 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.950, 60.690, 82.990 |
| Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
| Resolution | 19.370 - 1.383 |
| R-factor | 0.159 |
| Rwork | 0.157 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1F41 POLY ALA |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.633 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.045 | 1.460 |
| High resolution limit [Å] | 1.383 | 1.383 |
| Rmerge | 0.056 | 0.774 |
| Number of reflections | 92482 | |
| <I/σ(I)> | 7.1 | 1 |
| Completeness [%] | 97.0 | 94.7 |
| Redundancy | 7.1 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | ZINC ACETATE 0.2 M, SODIUM CITRATE 0.1 M, AMMONIUM SULFATE 2,0M, PH 4,6; CRYSTALS WERE SOAKED IN MOTHER LIQUOR SUPPLEMENTED WITH 10 % GLYCEROL BEFORE FREEZING IN LIQUID NITROGEN, PH 4.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K, pH 4.60 |
