4JDP
Crystal structure of probable p-nitrophenyl phosphatase (pho2) (target EFI-501307) from Archaeoglobus fulgidus DSM 4304 with Magnesium bound
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 | 2013-01-23 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.559, 64.733, 135.062 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.770 - 1.760 |
R-factor | 0.17096 |
Rwork | 0.170 |
R-free | 0.20605 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qgm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.203 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.790 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.463 | |
Number of reflections | 52110 | |
<I/σ(I)> | 12.9 | 4 |
Completeness [%] | 99.3 | 97.6 |
Redundancy | 7.9 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 0.2M MAGNESIUM CHLORIDE, 0.1M TRIS-HCL, 30% PEG4000, pH 8.5, VAPOR DIFFUSION, SITTING DROP |