1DFP

FACTOR D INHIBITED BY DIISOPROPYL FLUOROPHOSPHATE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	CCD
Collection date	1995-02
Detector	SIEMENS X1000
Spacegroup name	P 1 21 1
Unit cell lengths	40.600, 125.700, 41.900
Unit cell angles	90.00, 110.05, 90.00

Refinement procedure

Resolution	8.000 - 2.400
R-factor	0.148
Rwork	0.148
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dsu
RMSD bond length	0.011
RMSD bond angle	27.100 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.550
High resolution limit [Å]	2.400	2.400
Rmerge	0.053	0.120
Total number of observations	64840 *
Number of reflections	14663
<I/σ(I)>	23.2	4.6
Completeness [%]	95.4	75
Redundancy	4.4	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.8		used to seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MES	50 (mM)
2	1	reservoir	PEG6000	12-16 (%)
3	1	reservoir		0.2 (M)