4NRW
MvNei1-G86D
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-04-25 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.401, 121.682, 79.993 |
Unit cell angles | 90.00, 95.68, 90.00 |
Refinement procedure
Resolution | 14.966 - 2.845 |
R-factor | 0.2653 |
Rwork | 0.260 |
R-free | 0.31450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3a46 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.614 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 15.000 | 15.000 | 2.950 |
High resolution limit [Å] | 2.845 | 6.020 | 2.845 |
Rmerge | 0.185 | 0.114 | 0.523 |
Number of reflections | 17340 | ||
<I/σ(I)> | 4.6 | ||
Completeness [%] | 99.0 | 99.3 | 98.7 |
Redundancy | 3.5 | 3.7 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 285 | 4% w/v PEG8000, 0.125 M potassium chloride, 0.05 M magnesium sulfate, 100 mM MES, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 285K |