1EWL

CRYSTAL STRUCTURE OF CRUZAIN BOUND TO WRR-99

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-02-25
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	43.095, 51.648, 45.257
Unit cell angles	90.00, 114.92, 90.00

Refinement procedure

Resolution	22.000 - 2.000
R-factor	0.171
Rwork	0.171
R-free	0.23300
RMSD bond length	0.011
RMSD bond angle	2.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.085	0.169
Number of reflections	11856
<I/σ(I)>	8.1
Completeness [%]	96.2	95.1
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.25	292	0.9M NaCitrate, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 292K