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) |
