3EM6

Crystal structure of I50L/A71V mutant of hiv-1 protease in complex with inhibitor darunavir

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	2004-03-28
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
格子定数 [Å]	51.140, 57.891, 61.364
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	42.260 - 2.100
R因子	0.188
Rwork	0.186
R-free	0.24000
Starting model (for MR)	1f7a
結合長の平均二乗偏差(RMSD) [Å]	0.004
結合角の平均二乗偏差(RMSD) [度]	1.151
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Quality characteristics

	Overall	Inner shell	Outer shell
分解能 [Å] (低)	50.000	50.000	2.180
分解能 [Å] (高)	2.100	4.520	2.100
Rmerge_l_obs	0.092	0.036	0.461
独立反射数	10762
<I/σ(I)>	11.443
完全性 [%]	96.6	94	95.6
冗長性	3.2

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	6.2	300	pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K