2V5A
CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Collection date | 2005-10-31 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.315, 106.410, 122.184 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.320 - 2.310 |
R-factor | 0.202 |
Rwork | 0.200 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dv2 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.998 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.390 |
High resolution limit [Å] | 2.310 | 2.310 |
Rmerge | 0.070 | 0.380 |
Number of reflections | 41691 | |
<I/σ(I)> | 15.99 | 2.74 |
Completeness [%] | 85.3 | 83 |
Redundancy | 3.21 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M POTASSIUM CHLORIDE, 4% (W/V) PEG 8000 |