1MVS

Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1994-12-19
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	85.486, 85.486, 77.612
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 1.900
Rwork	0.186
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hfr
RMSD bond length	0.024
RMSD bond angle	0.280 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PROTEIN
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.056 *
Number of reflections	9689
Completeness [%]	90.6	61.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	277 *	0.1M phosphate buffer, 61% Ammonium sulfate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		100 (mM)
2	1	reservoir	phosphate	50 (mM)	pH6.8
3	1	drop	protein	10.0 (mg/ml)
4	1	drop	ammonium sulfate	61 (%)
5	1	drop	phosphate	0.1 (M)	pH6.8