6EX9

Crystal Structure of HIV-1 Integrase Catalytic Core Domain with Inhibitor Peptide

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97933
Spacegroup name	P 41 21 2
格子定数 [Å]	96.519, 96.519, 48.489
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	68.249 - 2.014
R因子	0.2284
Rwork	0.226
R-free	0.27930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bis
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]	0.841
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX ((1.11.1_2575: ???))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	68.260	2.086
分解能 [Å] (高)	2.014	2.014
Rmerge_l_obs	0.061	0.885
Rmeas	0.067
Rpim	0.029
独立反射数	15682	1524
<I/σ(I)>	17.9	2.6
完全性 [%]	100.0	99.93
冗長性	9.7
CC(1/2)	0.996

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION		293	0.1 M Succinic acid, 15 % w/v PEG 3350