6NZJ
Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina acetivorans: Implications for CO2 Capture by a Surface-Exposed [Fe4S4] Cluster
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-09-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 96.169, 96.169, 320.244 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 83.285 - 2.400 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.21640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cp2 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.704 |
Data reduction software | MOSFLM (7.0.062) |
Data scaling software | SCALA (7.0.062) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.290 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmeas | 0.111 | 0.781 |
Number of reflections | 40175 | 35369 |
<I/σ(I)> | 5.4 | |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 11.9 | 11.2 |
CC(1/2) | 0.999 | 0.810 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8 | 298 | PEG 3350, carbonate, dithionite |