7SNT
2.20A Resolution Structure of NanoLuc Luciferase with Bound Substrate Analog 3-methoxy-furimazine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-04-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.648, 61.249, 64.664 |
Unit cell angles | 90.00, 102.04, 90.00 |
Refinement procedure
Resolution | 42.120 - 2.200 |
R-factor | 0.2134 |
Rwork | 0.211 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ibo |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER (2.5.4) |
Refinement software | PHENIX (dev_4289) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.790 | 45.790 | 2.270 |
High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
Rmerge | 0.090 | 0.040 | 0.625 |
Rmeas | 0.107 | 0.049 | 0.744 |
Rpim | 0.058 | 0.027 | 0.399 |
Total number of observations | 61036 | 946 | 5328 |
Number of reflections | 18190 | 281 | 1575 |
<I/σ(I)> | 9.4 | 25.2 | 2 |
Completeness [%] | 99.3 | 98.3 | 98.9 |
Redundancy | 3.4 | 3.4 | 3.4 |
CC(1/2) | 0.995 | 0.994 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 1.0 M sodium citrate dibasic, 0.1 M Tris, 0.2 M NaCl |