6NKJ
1.3 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with (2R)-2-(phosphonooxy)propanoic acid.
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 32 |
格子定数 [Å] | 120.713, 120.713, 70.614 |
格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
残基 | 27.770 - 1.300 |
R因子 | 0.14528 |
Rwork | 0.145 |
R-free | 0.15494 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sg1 |
結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
結合角の平均二乗偏差(RMSD) [度] | 1.595 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0238) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 30.000 | 1.320 |
分解能 [Å] (高) | 1.300 | 1.300 |
Rmerge_l_obs | 0.049 | 0.599 |
Rmeas | 0.057 | 0.712 |
Rpim | 0.029 | 0.378 |
独立反射数 | 285243 | 14279 |
<I/σ(I)> | 22.2 | 2.3 |
完全性 [%] | 99.8 | 100 |
冗長性 | 3.5 | 3.3 |
CC(1/2) | 0.725 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | Protein: 11.0 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3); Screen: Classics II (B9), 1.8M Ammonium citrate pH=7.0; Cryo: 1.8M Ammonium citrate pH=7.0, 25% Sucrose. |