4FK7
Crystal structure of Certhrax catalytic domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Detector technology | IMAGE PLATE |
Collection date | 2009-05-12 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 31.986, 71.832, 98.628 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.780 |
R-factor | 0.172 |
Rwork | 0.171 |
R-free | 0.20310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bw8 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.476 |
Data reduction software | XDS |
Data scaling software | SCALA (CCP4_3.3.20) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0027) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.920 | 35.920 | 1.880 |
High resolution limit [Å] | 1.780 | 5.630 | 1.780 |
Rmerge | 0.024 | 0.020 | 0.070 |
Total number of observations | 4993 | 21308 | |
Number of reflections | 21982 | ||
<I/σ(I)> | 60.2374 | ||
Completeness [%] | 97.4 | 98.97 | 92.74 |
Redundancy | 7.05 | 6.13 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.4 | 291 | 2.9M ammonium sulfate, 0.1M bis-tris, pH 6.4, vapor diffusion, temperature 291K |
1 | VAPOR DIFFUSION | 6.4 | 291 | 2.9M ammonium sulfate, 0.1M bis-tris, pH 6.4, vapor diffusion, temperature 291K |