1MCZ
BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH AN INHIBITOR, R-MANDELATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 134.800, 209.600, 163.400 |
Unit cell angles | 90.00, 97.10, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.800 |
Rwork | 0.200 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bfd |
RMSD bond length | 0.007 |
RMSD bond angle | 1.370 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.073 | 0.187 * |
Total number of observations | 561773 * | |
Number of reflections | 206940 * | |
<I/σ(I)> | 9.1 | |
Completeness [%] | 94.0 * | 76 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 20 * | CRYSTALS WERE GROWN AT ROOM TEMPERATURE BY HANGING-DROP VAPOR DIFFUSION AGAINST A WELL SOLUTION OF 20-22% PEG MME 2000, 100 mM Na citrate, pH 5.2-5.6, 0.15-0.2 M (NH4)2SO4 and 10 mM R-mandelate. DROPS CONTAINED EQUAL VOLUMES (2-4 MICROL) OF WELL SOLUTION AND PURIFIED BENZOYLFORMATE DECARBOXYLASE [20-50 MG/ML IN 0.1 MM MGCL2, 0.2 MM TDP, 15 MM NAHEPES (PH 7.0)]., pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20-50 (mg/ml) | |
2 | 1 | drop | HEPES | 15 (mM) | pH7.0 |
3 | 1 | drop | ThDP | 0.2 (mM) | |
4 | 1 | drop | 0.1 (mM) | ||
5 | 1 | reservoir | PEG2000MME | 20-22 (%) | |
6 | 1 | reservoir | sodium citrate | 100 (mM) | pH5.2-5.6 |
7 | 1 | reservoir | ammonium sulfate | 0.15-0.2 (M) | |
8 | 1 | reservoir | (R)-mandelate | 10 (mM) |