4YR1
Crystal Structure of E. Coli Alkaline Phosphatase D101A/D153A in complex with inorganic phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97945 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 161.420, 161.420, 140.051 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.890 - 2.240 |
R-factor | 0.219 |
Rwork | 0.217 |
R-free | 0.25890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.104 |
Data reduction software | iMOSFLM (7.1.1) |
Data scaling software | Aimless (0.3.6) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (refmac_5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.890 | 52.890 | 2.310 |
High resolution limit [Å] | 2.240 | 9.250 | 2.240 |
Rmerge | 0.438 | 0.055 | 3.135 |
Rpim | 0.096 | 0.012 | 0.719 |
Total number of observations | 1117848 | 19503 | 87038 |
Number of reflections | 51846 | ||
<I/σ(I)> | 7.8 | 31.3 | 1.4 |
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 21.6 | 22.3 | 19.7 |
CC(1/2) | 0.996 | 0.999 | 0.582 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | PEG 3350, Bis-Tris, ammonium sulfate, glycerol (cryo-protectant) |