4QQ8
Crystal structure of the formolase FLS in space group P 43 21 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-22 |
Detector | RIGAKU SATURN 70 |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 144.742, 144.742, 269.553 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 127.520 - 2.880 |
R-factor | 0.17054 |
Rwork | 0.169 |
R-free | 0.19874 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ago |
RMSD bond length | 0.012 |
RMSD bond angle | 1.484 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (MR) |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 127.520 | 3.100 | 2.980 |
High resolution limit [Å] | 2.880 | 2.980 | 2.880 |
Number of reflections | 64154 | ||
<I/σ(I)> | 9.96 | 2.51 | 2.11 |
Completeness [%] | 97.9 | 95.5 | 95.1 |
Redundancy | 5.8 | 5 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 14 to 16 % PEG3000, 100 mM TrisHCl, 150 mM Calcium acetate., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |