1UGU
Crystal structure of PYP E46Q mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-02-07 |
Detector | MARRESEARCH |
Wavelength(s) | 0.650 |
Spacegroup name | P 65 |
Unit cell lengths | 40.352, 40.352, 118.001 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.920 - 1.200 |
R-factor | 0.16658 |
Rwork | 0.165 |
R-free | 0.19113 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2phy |
RMSD bond length | 0.011 |
RMSD bond angle | 1.440 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.240 |
High resolution limit [Å] | 1.200 | 1.200 |
Number of reflections | 31902 | |
<I/σ(I)> | 18.1 | 3.4 |
Completeness [%] | 94.5 | 82.4 |
Redundancy | 8.3 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEGMME 2000, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |