2P4O
CRYSTAL STRUCTURE OF A PUTATIVE LACTONASE OF THE SMP-30/GLUCONOLACTONASE/LRE-LIKE REGION FAMILY (NPUN_F0524) FROM NOSTOC PUNCTIFORME PCC 73102 AT 1.90 A RESOLUTION
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-11 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91162, 0.97895, 0.97925 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 91.442, 91.442, 75.188 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.696 - 1.900 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.21900 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.591 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.696 | 29.700 | 1.950 |
| High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
| Rmerge | 0.072 | 0.037 | 0.752 |
| Total number of observations | 1931 | 13433 | |
| Number of reflections | 25746 | ||
| <I/σ(I)> | 6 | 16.2 | 1 |
| Completeness [%] | 100.0 | 97 | 100 |
| Redundancy | 7.1 | 5.7 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | NANODROP, 1.7M (NH4)2SO4, 15.0% Glycerol, 1.7% PEG 400, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
