3NRJ
Crystal structure of probable yrbi family phosphatase from pseudomonas syringae pv.phaseolica 1448a complexed with magnesium
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 | 2010-04-29 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.302, 126.733, 106.531 |
Unit cell angles | 90.00, 95.57, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.900 |
R-factor | 0.18112 |
Rwork | 0.179 |
R-free | 0.24038 |
Structure solution method | MR |
Starting model (for MR) | 3mn1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.144 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.910 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.900 | |
Number of reflections | 163907 | |
<I/σ(I)> | 6.5 | 0.95 |
Completeness [%] | 95.6 | 71.9 |
Redundancy | 2 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 100MM TRIS-HCL, PH 7.0, 30% PEG 3K, 200MM SODIUM CHLORIDE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |