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 |
