3N5F
Crystal Structure of L-N-carbamoylase from Geobacillus stearothermophilus CECT43
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2006-03-03 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 103.208, 211.683, 43.091 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.750 |
R-factor | 0.1968 |
Rwork | 0.193 |
R-free | 0.27579 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1z2l |
RMSD bond length | 0.014 |
RMSD bond angle | 1.556 |
Data reduction software | SAINT |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.890 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.124 | 0.258 |
Number of reflections | 25512 | |
<I/σ(I)> | 15.05 | 4.16 |
Completeness [%] | 99.1 | 91.5 |
Redundancy | 7.26 | 3.92 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 15 % iso-propanol, 0.1 M sodium cacodylate pH 6.5 and 0.6 M trisodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |