3P5A
Human Carbonic Anhydrase complexed with Sodium morpholinocarbodithioate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-07-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.262, 41.210, 72.151 |
Unit cell angles | 90.00, 104.21, 90.00 |
Refinement procedure
Resolution | 25.315 - 1.490 |
R-factor | 0.1493 |
Rwork | 0.148 |
R-free | 0.16910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.488 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.6.3_467) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.540 |
High resolution limit [Å] | 1.490 | 3.210 | 1.490 |
Rmerge | 0.064 | 0.062 | 0.181 |
Number of reflections | 39395 | ||
<I/σ(I)> | 32.3 | ||
Completeness [%] | 99.4 | 99.2 | 95.7 |
Redundancy | 3.7 | 3.9 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1.6M Sodium Citrate, 50 mM Tris-Cl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |