2X9C

Crystal structure of a soluble PrgI mutant from Salmonella Typhimurium

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	2007-05-13
Detector	ADSC QUANTUM 315r
Spacegroup name	P 31 1 2
格子定数 [Å]	64.530, 64.530, 104.290
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	38.130 - 2.450
R因子	0.225
Rwork	0.225
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ca5
結合長の平均二乗偏差(RMSD) [Å]	0.008
結合角の平均二乗偏差(RMSD) [度]	1.100
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	CNS (1.21)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	2.310
分解能 [Å] (高)	2.250	2.250
Rmerge_l_obs	0.110	0.920
独立反射数	11435
<I/σ(I)>	9.83	2.11
完全性 [%]	94.9	96.8
冗長性	7.5	7.6

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP			RESERVOIR SOLUTION 0.15 MM NAH2PO4. SAMPLE BUFFER 20 MM HEPES (PH 7.5) 50 MM NACL. HANGING DROP WITH 1 UL SAMPLE AND 1 UL RESERVOIR SOLUTION.