7TM9
Crystal structure of Bacterial alkaline phosphatase from Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9840 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.950, 240.600, 101.479 |
Unit cell angles | 90.00, 105.13, 90.00 |
Refinement procedure
Resolution | 46.090 - 1.950 |
R-factor | 0.1741 |
Rwork | 0.172 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ed8 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.660 | 49.660 | 1.980 |
High resolution limit [Å] | 1.950 | 10.680 | 1.950 |
Rmerge | 0.118 | 0.057 | 0.333 |
Total number of observations | 5619 | 37387 | |
Number of reflections | 449685 | 1502 | 11735 |
<I/σ(I)> | 5.8 | 7.3 | 3 |
Completeness [%] | 97.8 | 99 | 98.7 |
Redundancy | 3.3 | 3.7 | 3.2 |
CC(1/2) | 0.977 | 0.915 | 0.830 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | Morpheus A9: 12% v/v PEG 500 MME: 6% (w/v) PEG 20000, 0.1 M Tris (base): BICINE, 0.03 M Magnesium chloride hexahydrate and 0.03 M Calcium chloride dihydrate), KlpnC.00059.a.B2.PS38688 at 27.45 mg/mL, Tray: plate 12317 well A9 drop 1, Puck: PSL0501, Cryo: DIRECT |