1QH1
NITROGENASE MOFE PROTEIN FROM KLEBSIELLA PNEUMONIAE, PHENOSAFRANIN OXIDIZED STATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-10-01 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 204.180, 75.220, 162.840 |
| Unit cell angles | 90.00, 122.88, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.158 * |
| Rwork | 0.158 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1MIN |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.033 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.054 | 0.166 |
| Number of reflections | 267995 | |
| <I/σ(I)> | 25.03 | 5.12 |
| Completeness [%] | 98.9 | 94.3 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 8 | 17 * | CRYSTALLIZED ANAEROBICALLY USING LIQUID-LIQUID DIFFUSION TECHNIQUE. FINAL CONCENTRATIONS AFTER EQUILIBRATION WERE: 7% (W/V) PEG 6000, 0.4 - 0.6 M MGCL2, 50 MM TRIS-HCL PH 8, 3.3 MG/ML PROTEIN., pH 8.0, temperature 100K PRIOR TO DATA COLLECTION THE CRYSTAL WAS INCUBATED FOR 5 HOURS IN CRYOPROTECTANT (MOTHER LIQUOR WITH 25% ETHYLENE GLYCOL) CONTAINING 2 MM PHENOSAFRANIN (AN OXIDANT). |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG6000 | 7 (%(w/v)) | |
| 2 | 1 | 1 | 0.4-0.6 (M) | ||
| 3 | 1 | 1 | Tris-HCl | 50 (mM) | |
| 4 | 1 | 2 | protein | 3.3 (mg/ml) |
