1H1L
NITROGENASE MO-FE PROTEIN FROM KLEBSIELLA PNEUMONIAE, NIFV MUTANT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-02-08 |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 204.060, 75.060, 164.260 |
Unit cell angles | 90.00, 123.95, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.900 |
Rwork | 0.176 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qgu |
RMSD bond length | 0.014 * |
RMSD bond angle | 0.034 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.094 | 0.214 |
Number of reflections | 154203 | |
<I/σ(I)> | 15.5 | 3.6 |
Completeness [%] | 94.2 | 85.2 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | liquid-liquid diffusion * | 7.4 | CRYSTALLIZED ANAEROBICALLY USING LIQUID-LIQUID DIFFUSION TECHNIQUE. FINAL CONCENTRATIONS AFTER EQUILIBRATION WERE: 7% (W/V) PEG6000, 0.4 - 0.6 M MGCL2, 50 MM TRIS-HCL PH 7.4, 1.3 MG/ML PROTEIN. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | 10 (mM) | ||
2 | 1 | 1 | Tris-HCl | 25 (mM) | pH7.4 |
3 | 1 | 1 | protein | 10.1 (mg/ml) |