4JB3
Crystal structure of BT_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-24 |
Detector | RAYONIX 225 HE |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 49.580, 91.190, 46.270 |
Unit cell angles | 90.00, 104.22, 90.00 |
Refinement procedure
Resolution | 42.517 - 1.500 |
R-factor | 0.1473 |
Rwork | 0.146 |
R-free | 0.17170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2i6x |
RMSD bond length | 0.009 |
RMSD bond angle | 1.065 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.517 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.078 | 0.300 |
Number of reflections | 30037 | |
<I/σ(I)> | 14.8 | 4.5 |
Completeness [%] | 94.3 | 69.7 |
Redundancy | 6.8 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 298 | Protein (10 mM Hepes pH 7.5, 150 mM NaCl, 5% glycerol, 1 mM DTT); Reservoir (2.4 M Sodium Malonate pH 7.0); Cryoprotection (Reservoir, 20% glycerol), sitting drop vapor diffuction, temperature 298K |