4GW3
Crystal Structure of the Lipase from Proteus mirabilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ DW |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-12-16 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.502 |
Spacegroup name | P 32 |
Unit cell lengths | 65.438, 65.438, 63.966 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.130 - 2.000 |
R-factor | 0.1686 |
Rwork | 0.167 |
R-free | 0.19420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.871 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.137 | 0.080 | 0.430 |
Number of reflections | 20166 | ||
<I/σ(I)> | 9.1 | ||
Completeness [%] | 97.7 | 99.3 | 96.2 |
Redundancy | 3.8 | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 5.6 | 298 | 0.095 M Sodium citrate tribasic dihydrate pH 5.6, 19% v/v 2-Propanol, 19% w/v PEG 4000, 5% glycerol, hanging drop, temperature 298K |