6G46
Red kidney bean purple acid phosphatase in complex with 2-(Naphthalen-1-yl)thiazole-4-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-12-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 126.208, 126.208, 297.119 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.262 - 2.400 |
R-factor | 0.1747 |
Rwork | 0.172 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dhl |
RMSD bond length | 0.009 |
RMSD bond angle | 0.957 |
Data reduction software | CrystalClear (2.0) |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.270 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.083 | 0.280 |
Rmeas | 0.094 | 0.338 |
Number of reflections | 107272 | |
<I/σ(I)> | 10.9 | 3.4 |
Completeness [%] | 99.4 | 97.5 |
Redundancy | 4.36 | 2.93 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291.15 | 2 M ammonium sulfate and 0.1 M sodium acetate, pH 4.0 |