1HQD
PSEUDOMONAS CEPACIA LIPASE COMPLEXED WITH TRANSITION STATE ANALOGUE OF 1-PHENOXY-2-ACETOXY BUTANE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-06-15 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.060, 46.630, 84.300 |
Unit cell angles | 90.00, 120.86, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.300 |
R-factor | 0.154 |
Rwork | 0.154 |
R-free | 0.20300 |
Structure solution method | isomorphous replacement |
Starting model (for MR) | code 3LIP |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.056 * | |
Total number of observations | 44574 * | |
Number of reflections | 12973 | |
<I/σ(I)> | 5.9 | |
Completeness [%] | 96.7 * | 91.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 * | 5 * | 12-45 % (v/v) MPD, 100 mM sodium citrate, 100 mM Hepes , pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | n-propanol | 15-36 (%(v/v)) | |
2 | 1 | reservoir | Tris-HCl | 100 (mM) | |
3 | 1 | reservoir | MPD | 12-45 (%(v/v)) | |
4 | 1 | reservoir | sodium citrate | 100 (mM) | |
5 | 1 | reservoir | HEPES | 100 (mM) | |
6 | 1 | drop | protein | 12 (mg/ml) | |
7 | 1 | drop | sodium phosphate | 6.3 (mM) | |
8 | 1 | drop | piperazine | 5 (mM) |