1FML

CRYSTAL STRUCTURE OF RETINOL DEHYDRATASE IN A COMPLEX WITH RETINOL AND PAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-04-14
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	82.053, 66.612, 84.904
Unit cell angles	90.00, 111.29, 90.00

Refinement procedure

Resolution	38.450 - 2.750
Rwork	0.222
R-free	0.27300
Structure solution method	SIRAS Phasing
RMSD bond length	0.008
RMSD bond angle	21.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.104 *	0.371 *
Number of reflections	20388
<I/σ(I)>	12.7	3.2
Completeness [%]	92.6	98.9
Redundancy	3.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	284	Pakhomova, S., (2000) Acta Crystallogr.D56, 1641. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG3350	8 (%)
3	1	reservoir		50 (mM)
4	1	reservoir	HEPES	100 (mM)