4Z15

MIF in complex with 3-(2-furylmethyl)-2-thioxo-1,3-thiazolan-4-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0809
Spacegroup name	P 21 21 21
Unit cell lengths	67.680, 68.060, 88.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.950 - 1.600
R-factor	0.17975
Rwork	0.178
R-free	0.21016
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mif
RMSD bond length	0.026
RMSD bond angle	2.122
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall
Low resolution limit [Å]	26.950
High resolution limit [Å]	1.600
Number of reflections	54348
<I/σ(I)>	6.2
Completeness [%]	98.8
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Tris, ammonium sulfate, isopropanol