1FDU
HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 MUTANT H221L COMPLEXED WITH ESTRADIOL AND NADP+
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM02 |
| Synchrotron site | ESRF |
| Beamline | BM02 |
| Temperature [K] | 130 |
| Detector technology | CCD |
| Collection date | 1996-02 |
| Detector | ESRF |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 115.800, 78.780, 121.190 |
| Unit cell angles | 90.00, 92.91, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.700 |
| R-factor | 0.22 * |
| Rwork | 0.220 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fdt |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.037 |
| Data reduction software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.830 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.092 * | 0.277 * |
| Number of reflections | 57170 | |
| Completeness [%] | 84.0 | 32 |
| Redundancy | 3.96 | 2.36 |
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 NADP+, 100 MM NACL; THEN SOAKED IN 30 % PEG 4000, 100 MM HEPES PH 6.5, 100 MM NACL, 0.5 MM ESTRADIOL, 1 MM NADP+ |
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 (%) |
