1FDV
HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 MUTANT H221L COMPLEXED WITH NAD+
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM02 |
| Synchrotron site | ESRF |
| Beamline | BM02 |
| Temperature [K] | 130 |
| Detector technology | CCD |
| Collection date | 1995-11 |
| Detector | ESRF |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 115.120, 79.110, 120.470 |
| Unit cell angles | 90.00, 91.93, 90.00 |
Refinement procedure
| Resolution | 10.000 - 3.100 |
| R-factor | 0.219 * |
| Rwork | 0.219 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fdt |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.043 |
| Data reduction software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.200 |
| High resolution limit [Å] | 3.000 | 3.100 |
| Rmerge | 0.146 * | 0.418 * |
| Number of reflections | 56921 | |
| Completeness [%] | 91.6 | 98.5 |
| Redundancy | 3.61 | 3.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.5 * | PROTEIN WAS CRYSTALLIZED FROM 2 M AMMONIUM SULFATE, 100 MM SODIUM PHOSPHATE BUFFER PH 6.3, 1 MM NAD+, 100 MM NACL; THEN SOAKED IN 27 % GLYCEROL, 2.3 M AMMONIUM SULFATE, 100 MM SODIUM PHOSPHATE BUFFER PH 6.1, 80 MM NACL, 1 MM NAD+ |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | enzyme | 5 (mg/ml) | |
| 10 | 1 | 2 | PEG4000 | 30 (%) | |
| 2 | 1 | 1 | EDTA | 1 (mM) | |
| 3 | 1 | 1 | dithiothreitol | 0.2 (mM) | |
| 4 | 1 | 1 | glycerol | 20 (%) | |
| 5 | 1 | 1 | beta-octylglucoside | 2 (mM) | |
| 6 | 1 | 2 | HEPES | 100 (mM) | |
| 7 | 1 | 2 | 100 (mM) | ||
| 8 | 1 | 2 | E2 | 0.5 (mM) | |
| 9 | 1 | 2 | propanediol | 2-4 (%) |
