3M0E
Crystal structure of the ATP-bound state of Walker B mutant of NtrC1 ATPase domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2007-05-08 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.1159 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 251.209, 242.586, 40.703 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.637 - 2.630 |
R-factor | 0.2091 |
Rwork | 0.205 |
R-free | 0.24070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1NY6 (RESIDUES 140-380 OF E CHAIN OF NTRC1) |
RMSD bond length | 0.010 |
RMSD bond angle | 1.340 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | MrBUMP |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.637 | 2.720 |
High resolution limit [Å] | 2.630 | 2.630 |
Rmerge | 0.091 | 0.480 |
Number of reflections | 75935 | |
<I/σ(I)> | 1.8 | |
Completeness [%] | 99.7 | 83.3 |
Redundancy | 0.0785 | 4.78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 0.1 M SODIUM CITRATE, 0.01 M FECL3, 0-5% (V/V) JEFFAMINE M-600, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |